Monday, December 26, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-[7-[4-(dimethylamino)butyl]-3-(3-methoxyphenyl)-1-oxo-pyrrolo[1,2-a]pyrazin-2-yl]-N-isopropyl-acetamide
CAS Name: 2-[7-[4-(dimethylamino)butyl]-3-(3-methoxyphenyl)-1-oxo-2-pyrrolo[1,2-a]pyrazinyl]-N-propan-2-ylacetamide
IUPAC NAME: 2-[7-[4-(dimethylamino)butyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-[7-[4-(dimethylamino)butyl]-3-(3-methoxyphenyl)-1-oxidanylidene-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C25H34N4O3
MOLECULAR WEIGHT: 438.56246
SMILES: CC(C)NC(=O)CN1C(=CN2C=C(C=C2C1=O)CCCCN(C)C)C3=CC(=CC=C3)OC
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Product OPENEYE NAME: 2-[3-(3-chlorophenyl)-4-methyl-1-oxo-7-[3-(1-piperidyl)propoxy]pyrrolo[1,2-a]pyrazin-2-yl]-N-isopropyl-acetamide
CAS Name: 2-[3-(3-chlorophenyl)-4-methyl-1-oxo-7-[3-(1-piperidinyl)propoxy]-2-pyrrolo[1,2-a]pyrazinyl]-N-propan-2-ylacetamide
IUPAC NAME: 2-[3-(3-chlorophenyl)-4-methyl-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-[3-(3-chlorophenyl)-4-methyl-1-oxidanylidene-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C27H35ClN4O3
MOLECULAR WEIGHT: 499.0448
SMILES: CC1=C(N(C(=O)C2=CC(=CN12)OCCCN3CCCCC3)CC(=O)NC(C)C)C4=CC(=CC=C4)Cl
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Product OPENEYE NAME: 4-[[1-(4-bromophenyl)-3-(4-chlorophenyl)-3-oxo-propyl]amino]benzenesulfonamide
CAS Name: 4-[[1-(4-bromophenyl)-3-(4-chlorophenyl)-3-oxopropyl]amino]benzenesulfonamide
IUPAC NAME: 4-[[1-(4-bromophenyl)-3-(4-chlorophenyl)-3-oxopropyl]amino]benzenesulfonamide
SYSTEMATIC NAME: 4-[[1-(4-bromophenyl)-3-(4-chlorophenyl)-3-oxidanylidene-propyl]amino]benzenesulfonamide
MOLECULAR FORMULA: C21H18BrClN2O3S
MOLECULAR WEIGHT: 493.80122
SMILES: C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)S(=O)(=O)N)Br
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H34O10
MOLECULAR WEIGHT: 530.56356
SMILES: C[C@@H]1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]([C@@H]1C)OC(=O)/C=C/C(OC)OC)OCO4)OC)O)OC)OC
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Product OPENEYE NAME: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5S,6R)-3-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5,6-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymeth
CAS Name: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5S,6R)-3-[[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-4,5,6-trihydroxy-2-oxanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5S,6R)-3-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3-[(2R,3S,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-4,5,6-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C24H42O21
MOLECULAR WEIGHT: 666.57768
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O
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Product OPENEYE NAME: [(3S,9S,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate
CAS Name: [(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate
IUPAC NAME: [(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate
MOLECULAR FORMULA: C27H45O4P
MOLECULAR WEIGHT: 464.617561
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)OP(=O)(O)O)C)C
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Product OPENEYE NAME: 4-[[(3S,9S,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid
CAS Name: 4-[[(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
IUPAC NAME: 4-[[(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C31H48O4
MOLECULAR WEIGHT: 484.71042
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
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Product OPENEYE NAME: (4aR,7aS)-2-amino-7a-(2,5-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methyl-pyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CAS Name: (4aR,7aS)-2-amino-7a-(2,5-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methyl-2-pyrimidinyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
IUPAC NAME: (4aR,7aS)-2-amino-7a-(2,5-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: (4aR,7aS)-2-azanyl-7a-[2,5-bis(fluoranyl)phenyl]-6-(5-fluoranyl-4-methoxy-6-methyl-pyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C19H19F3N6O2
MOLECULAR WEIGHT: 420.38837
SMILES: CC1=C(C(=NC(=N1)N2C[C@H]3C(=O)N(C(=N[C@]3(C2)C4=C(C=CC(=C4)F)F)N)C)OC)F
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Product OPENEYE NAME: (4aR,7aS)-2-amino-6-(5-fluoro-4-methoxy-6-methyl-pyrimidin-2-yl)-7a-(2-fluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CAS Name: (4aR,7aS)-2-amino-6-(5-fluoro-4-methoxy-6-methyl-2-pyrimidinyl)-7a-(2-fluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
IUPAC NAME: (4aR,7aS)-2-amino-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-7a-(2-fluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: (4aR,7aS)-2-azanyl-6-(5-fluoranyl-4-methoxy-6-methyl-pyrimidin-2-yl)-7a-(2-fluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C19H20F2N6O2
MOLECULAR WEIGHT: 402.397906
SMILES: CC1=C(C(=NC(=N1)N2C[C@H]3C(=O)N(C(=N[C@]3(C2)C4=CC=CC=C4F)N)C)OC)F
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Product OPENEYE NAME: (4aR,7aS)-2-amino-6-(5-fluoro-4-methoxy-6-methyl-pyrimidin-2-yl)-7a-(4-fluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CAS Name: (4aR,7aS)-2-amino-6-(5-fluoro-4-methoxy-6-methyl-2-pyrimidinyl)-7a-(4-fluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
IUPAC NAME: (4aR,7aS)-2-amino-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-7a-(4-fluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: (4aR,7aS)-2-azanyl-6-(5-fluoranyl-4-methoxy-6-methyl-pyrimidin-2-yl)-7a-(4-fluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C19H20F2N6O2
MOLECULAR WEIGHT: 402.397906
SMILES: CC1=C(C(=NC(=N1)N2C[C@H]3C(=O)N(C(=N[C@]3(C2)C4=CC=C(C=C4)F)N)C)OC)F
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Product OPENEYE NAME: (4aR,7aS)-2-amino-6-(5-chloro-4-methoxy-6-methyl-pyrimidin-2-yl)-7a-(2-fluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CAS Name: (4aR,7aS)-2-amino-6-(5-chloro-4-methoxy-6-methyl-2-pyrimidinyl)-7a-(2-fluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
IUPAC NAME: (4aR,7aS)-2-amino-6-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-7a-(2-fluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: (4aR,7aS)-2-azanyl-6-(5-chloranyl-4-methoxy-6-methyl-pyrimidin-2-yl)-7a-(2-fluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C19H20ClFN6O2
MOLECULAR WEIGHT: 418.852503
SMILES: CC1=C(C(=NC(=N1)N2C[C@H]3C(=O)N(C(=N[C@]3(C2)C4=CC=CC=C4F)N)C)OC)Cl
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Product OPENEYE NAME: (4aR,7aS)-2-amino-6-(5-chloro-4-cyclopropyl-6-methoxy-pyrimidin-2-yl)-7a-(2,4-difluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CAS Name: (4aR,7aS)-2-amino-6-(5-chloro-4-cyclopropyl-6-methoxy-2-pyrimidinyl)-7a-(2,4-difluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
IUPAC NAME: (4aR,7aS)-2-amino-6-(5-chloro-4-cyclopropyl-6-methoxypyrimidin-2-yl)-7a-(2,4-difluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: (4aR,7aS)-2-azanyl-7a-[2,4-bis(fluoranyl)phenyl]-6-(5-chloranyl-4-cyclopropyl-6-methoxy-pyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C21H21ClF2N6O2
MOLECULAR WEIGHT: 462.880246
SMILES: CN1C(=O)[C@@H]2CN(C[C@@]2(N=C1N)C3=C(C=C(C=C3)F)F)C4=NC(=C(C(=N4)OC)Cl)C5CC5
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Product OPENEYE NAME: (4aR,7aS)-2-amino-7a-(2-chloro-4-fluoro-phenyl)-6-(5-fluoro-4-methoxy-6-methyl-pyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CAS Name: (4aR,7aS)-2-amino-7a-(2-chloro-4-fluorophenyl)-6-(5-fluoro-4-methoxy-6-methyl-2-pyrimidinyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
IUPAC NAME: (4aR,7aS)-2-amino-7a-(2-chloro-4-fluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: (4aR,7aS)-2-azanyl-7a-(2-chloranyl-4-fluoranyl-phenyl)-6-(5-fluoranyl-4-methoxy-6-methyl-pyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C19H19ClF2N6O2
MOLECULAR WEIGHT: 436.842966
SMILES: CC1=C(C(=NC(=N1)N2C[C@H]3C(=O)N(C(=N[C@]3(C2)C4=C(C=C(C=C4)F)Cl)N)C)OC)F
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Product OPENEYE NAME: N-[3-[2-amino-7-methoxy-8-(4-pyridyl)quinazolin-6-yl]-4-methyl-phenyl]-2-(1-piperidyl)-5-(trifluoromethyl)benzamide
CAS Name: N-[3-(2-amino-7-methoxy-8-pyridin-4-yl-6-quinazolinyl)-4-methylphenyl]-2-(1-piperidinyl)-5-(trifluoromethyl)benzamide
IUPAC NAME: N-[3-(2-amino-7-methoxy-8-pyridin-4-ylquinazolin-6-yl)-4-methylphenyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[3-(2-azanyl-7-methoxy-8-pyridin-4-yl-quinazolin-6-yl)-4-methyl-phenyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C34H31F3N6O2
MOLECULAR WEIGHT: 612.64415
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3)C4=C(C(=C5C(=C4)C=NC(=N5)N)C6=CC=NC=C6)OC
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Product OPENEYE NAME: N-[3-[2-amino-8-(6-chloro-3-pyridyl)-7-methoxy-quinazolin-6-yl]-4-methyl-phenyl]-2-(1-piperidyl)-5-(trifluoromethyl)benzamide
CAS Name: N-[3-[2-amino-8-(6-chloro-3-pyridinyl)-7-methoxy-6-quinazolinyl]-4-methylphenyl]-2-(1-piperidinyl)-5-(trifluoromethyl)benzamide
IUPAC NAME: N-[3-[2-amino-8-(6-chloropyridin-3-yl)-7-methoxyquinazolin-6-yl]-4-methylphenyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[3-[2-azanyl-8-(6-chloranylpyridin-3-yl)-7-methoxy-quinazolin-6-yl]-4-methyl-phenyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C34H30ClF3N6O2
MOLECULAR WEIGHT: 647.08921
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3)C4=C(C(=C5C(=C4)C=NC(=N5)N)C6=CN=C(C=C6)Cl)OC
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Product OPENEYE NAME: N-[3-[2-amino-7-methoxy-8-(1-methylpyrazol-4-yl)quinazolin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
CAS Name: N-[3-[2-amino-7-methoxy-8-(1-methyl-4-pyrazolyl)-6-quinazolinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
IUPAC NAME: N-[3-[2-amino-7-methoxy-8-(1-methylpyrazol-4-yl)quinazolin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[3-[2-azanyl-7-methoxy-8-(1-methylpyrazol-4-yl)quinazolin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C28H23F3N6O2
MOLECULAR WEIGHT: 532.51643
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=C(C(=C4C(=C3)C=NC(=N4)N)C5=CN(N=C5)C)OC
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Product OPENEYE NAME: N-[3-(2-amino-7-methoxy-8-pyrimidin-2-yl-quinazolin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
CAS Name: N-[3-[2-amino-7-methoxy-8-(2-pyrimidinyl)-6-quinazolinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
IUPAC NAME: N-[3-(2-amino-7-methoxy-8-pyrimidin-2-ylquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[3-(2-azanyl-7-methoxy-8-pyrimidin-2-yl-quinazolin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C28H21F3N6O2
MOLECULAR WEIGHT: 530.50055
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=C(C(=C4C(=C3)C=NC(=N4)N)C5=NC=CC=N5)OC
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Product OPENEYE NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]pentanedioic acid
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)-1-oxobutyl]amino]pentanedioic acid
IUPAC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]pentanedioic acid
MOLECULAR FORMULA: C33H44N6O10S
MOLECULAR WEIGHT: 716.80166
SMILES: C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
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Product OPENEYE NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]pentanedioic acid
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]pentanedioic acid
IUPAC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]pentanedioic acid
MOLECULAR FORMULA: C33H44N6O10
MOLECULAR WEIGHT: 684.73666
SMILES: C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
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Product OPENEYE NAME: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoic acid
CAS Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-5-oxopentanoic acid
IUPAC NAME: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C34H47N7O9
MOLECULAR WEIGHT: 697.77848
SMILES: C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
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Product OPENEYE NAME: 2,6-dichloro-4-[3-[(3,4-dichlorophenyl)methylamino]-1H-pyridazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[(3,4-dichlorophenyl)methylamino]-1H-pyridazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-[3-[(3,4-dichlorophenyl)methylamino]-1H-pyridazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[3-[(3,4-dichlorophenyl)methylamino]-1H-pyridazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C17H11Cl4N3O
MOLECULAR WEIGHT: 415.10074
SMILES: C1=CC(=C(C=C1CNC2=NNC(=C3C=C(C(=O)C(=C3)Cl)Cl)C=C2)Cl)Cl
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Product OPENEYE NAME: 2,6-dichloro-4-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1H-pyridazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1H-pyridazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1H-pyridazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[3-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methylamino]-1H-pyridazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C18H11Cl2F4N3O
MOLECULAR WEIGHT: 432.199053
SMILES: C1=CC(=NNC1=C2C=C(C(=O)C(=C2)Cl)Cl)NCC3=CC(=CC(=C3)F)C(F)(F)F
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