Product OPENEYE NAME: 3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenyl-acetyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-(cyclopropylmethyl)-5,5-dimethyl-thiazolidine-4-carboxamide
CAS Name: 3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-1-oxobutyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-N-(cyclopropylmethyl)-5,5-dimethyl-4-thiazolidinecarboxamide
IUPAC NAME: 3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-(cyclopropylmethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
SYSTEMATIC NAME: 3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-N-(cyclopropylmethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
MOLECULAR FORMULA: C36H49N5O6S
MOLECULAR WEIGHT: 679.86916
SMILES: CC(=O)N[C@@H](C1=CC=CC=C1)C(=O)N[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3CSC(C3C(=O)NCC4CC4)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: 3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenyl-acetyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-N-(2-methylallyl)thiazolidine-4-carboxamide
CAS Name: 3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-1-oxobutyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-5,5-dimethyl-N-(2-methylprop-2-enyl)-4-thiazolidinecarboxamide
IUPAC NAME: 3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop-2-enyl)-1,3-thiazolidine-4-carboxamide
SYSTEMATIC NAME: 3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-(2-methylprop-2-enyl)-1,3-thiazolidine-4-carboxamide
MOLECULAR FORMULA: C36H49N5O6S
MOLECULAR WEIGHT: 679.86916
SMILES: CC(=C)CNC(=O)C1C(SCN1C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C3=CC=CC=C3)NC(=O)C)O)(C)C
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Product OPENEYE NAME: isopropyl 2-(3-chlorophenyl)-4-(3-phenylpropanoylamino)benzoate
CAS Name: 2-(3-chlorophenyl)-4-[(1-oxo-3-phenylpropyl)amino]benzoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 2-(3-chlorophenyl)-4-(3-phenylpropanoylamino)benzoate
SYSTEMATIC NAME: propan-2-yl 2-(3-chlorophenyl)-4-(3-phenylpropanoylamino)benzoate
MOLECULAR FORMULA: C25H24ClNO3
MOLECULAR WEIGHT: 421.91596
SMILES: CC(C)OC(=O)C1=C(C=C(C=C1)NC(=O)CCC2=CC=CC=C2)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: isopropyl 4-[[2-[benzyloxycarbonyl(methyl)amino]acetyl]amino]-2-(3-chlorophenyl)benzoate
CAS Name: 2-(3-chlorophenyl)-4-[[2-[methyl(phenylmethoxycarbonyl)amino]-1-oxoethyl]amino]benzoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 2-(3-chlorophenyl)-4-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]benzoate
SYSTEMATIC NAME: propan-2-yl 2-(3-chlorophenyl)-4-[2-[methyl(phenylmethoxycarbonyl)amino]ethanoylamino]benzoate
MOLECULAR FORMULA: C27H27ClN2O5
MOLECULAR WEIGHT: 494.96668
SMILES: CC(C)OC(=O)C1=C(C=C(C=C1)NC(=O)CN(C)C(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: (1R,4S,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxo-propyl]-6,6-dichloro-3-[(2S)-2-cyclohexyl-2-(cyclohexylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-4-carboxamide
CAS Name: (1R,4S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-6,6-dichloro-3-[(2S)-2-cyclohexyl-2-[[(cyclohexylamino)-oxomethyl]amino]-1-oxoethyl]-3-azabicyclo[3.1.0]hexane-4-carboxamide
IUPAC NAME: (1R,4S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-6,6-dichloro-3-[(2S)-2-cyclohexyl-2-(cyclohexylcarbamoylamino)acetyl]-3-azabicyclo[3.1.0]hexane-4-carboxamide
SYSTEMATIC NAME: (1R,4S,5S)-N-[4-azanyl-1-cyclobutyl-3,4-bis(oxidanylidene)butan-2-yl]-6,6-bis(chloranyl)-3-[(2S)-2-cyclohexyl-2-(cyclohexylcarbamoylamino)ethanoyl]-3-azabicyclo[3.1.0]hexane-4-carboxamide
MOLECULAR FORMULA: C29H43Cl2N5O5
MOLECULAR WEIGHT: 612.58822
SMILES: C1CCC(CC1)[C@@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC4CCC4)C(=O)C(=O)N)C3(Cl)Cl)NC(=O)NC5CCCCC5
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Product OPENEYE NAME: (2R)-2-[4-[3-methoxy-4-[(6-methyl-3-pyridyl)oxy]anilino]quinazolin-5-yl]oxy-1-morpholino-propan-1-one
CAS Name: (2R)-2-[[4-[3-methoxy-4-[(6-methyl-3-pyridinyl)oxy]anilino]-5-quinazolinyl]oxy]-1-(4-morpholinyl)-1-propanone
IUPAC NAME: (2R)-2-[4-[3-methoxy-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one
SYSTEMATIC NAME: (2R)-2-[4-[[3-methoxy-4-(6-methylpyridin-3-yl)oxy-phenyl]amino]quinazolin-5-yl]oxy-1-morpholin-4-yl-propan-1-one
MOLECULAR FORMULA: C28H29N5O5
MOLECULAR WEIGHT: 515.56036
SMILES: CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C(=CC=C4)O[C@H](C)C(=O)N5CCOCC5)OC
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Product OPENEYE NAME: (2R)-2-[4-[3-chloro-4-[(6-methyl-3-pyridyl)oxy]anilino]quinazolin-5-yl]oxy-1-morpholino-propan-1-one
CAS Name: (2R)-2-[[4-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-5-quinazolinyl]oxy]-1-(4-morpholinyl)-1-propanone
IUPAC NAME: (2R)-2-[4-[3-chloro-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one
SYSTEMATIC NAME: (2R)-2-[4-[[3-chloranyl-4-(6-methylpyridin-3-yl)oxy-phenyl]amino]quinazolin-5-yl]oxy-1-morpholin-4-yl-propan-1-one
MOLECULAR FORMULA: C27H26ClN5O4
MOLECULAR WEIGHT: 519.97944
SMILES: CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C(=CC=C4)O[C@H](C)C(=O)N5CCOCC5)Cl
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Product OPENEYE NAME: N-[2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]propyl]-N-methyl-isoquinoline-5-sulfonamide
CAS Name: N-[2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]propyl]-N-methyl-5-isoquinolinesulfonamide
IUPAC NAME: N-[2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]propyl]-N-methylisoquinoline-5-sulfonamide
SYSTEMATIC NAME: N-[3-[2-(4-methoxyphenyl)ethylamino]-2-oxidanyl-propyl]-N-methyl-isoquinoline-5-sulfonamide
MOLECULAR FORMULA: C22H27N3O4S
MOLECULAR WEIGHT: 429.53248
SMILES: CN(CC(CNCCC1=CC=C(C=C1)OC)O)S(=O)(=O)C2=CC=CC3=C2C=CN=C3
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Product OPENEYE NAME: 1-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-azocan-2-one
CAS Name: 1-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2-azocanone
IUPAC NAME: 1-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonylazocan-2-one
SYSTEMATIC NAME: 3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxidanyl-azocan-2-one
MOLECULAR FORMULA: C20H23NO6S
MOLECULAR WEIGHT: 405.46472
SMILES: COC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C3CCCCCN(C3=O)O
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Product OPENEYE NAME: 1-acetyl-8-methoxy-anthracene-9,10-dione
CAS Name: 1-acetyl-8-methoxyanthracene-9,10-dione
IUPAC NAME: 1-acetyl-8-methoxyanthracene-9,10-dione
SYSTEMATIC NAME: 1-ethanoyl-8-methoxy-anthracene-9,10-dione
MOLECULAR FORMULA: C17H12O4
MOLECULAR WEIGHT: 280.27478
SMILES: CC(=O)C1=CC=CC2=C1C(=O)C3=C(C2=O)C=CC=C3OC
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Product OPENEYE NAME: 1-hydroxy-3-[4-(4-methoxyphenyl)phenyl]sulfonyl-azepan-2-one
CAS Name: 1-hydroxy-3-[4-(4-methoxyphenyl)phenyl]sulfonyl-2-azepanone
IUPAC NAME: 1-hydroxy-3-[4-(4-methoxyphenyl)phenyl]sulfonylazepan-2-one
SYSTEMATIC NAME: 3-[4-(4-methoxyphenyl)phenyl]sulfonyl-1-oxidanyl-azepan-2-one
MOLECULAR FORMULA: C19H21NO5S
MOLECULAR WEIGHT: 375.43874
SMILES: COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C3CCCCN(C3=O)O
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Product OPENEYE NAME: 1-[2-(4-chloro-2-fluoro-phenoxy)phenyl]-N-methyl-methanamine
CAS Name: 1-[2-(4-chloro-2-fluorophenoxy)phenyl]-N-methylmethanamine
IUPAC NAME: 1-[2-(4-chloro-2-fluorophenoxy)phenyl]-N-methylmethanamine
SYSTEMATIC NAME: 1-[2-(4-chloranyl-2-fluoranyl-phenoxy)phenyl]-N-methyl-methanamine
MOLECULAR FORMULA: C14H13ClFNO
MOLECULAR WEIGHT: 265.710523
SMILES: CNCC1=CC=CC=C1OC2=C(C=C(C=C2)Cl)F
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Product OPENEYE NAME: 1-[2-(2-chloro-4-methoxy-phenoxy)phenyl]-N-methyl-methanamine
CAS Name: 1-[2-(2-chloro-4-methoxyphenoxy)phenyl]-N-methylmethanamine
IUPAC NAME: 1-[2-(2-chloro-4-methoxyphenoxy)phenyl]-N-methylmethanamine
SYSTEMATIC NAME: 1-[2-(2-chloranyl-4-methoxy-phenoxy)phenyl]-N-methyl-methanamine
MOLECULAR FORMULA: C15H16ClNO2
MOLECULAR WEIGHT: 277.74604
SMILES: CNCC1=CC=CC=C1OC2=C(C=C(C=C2)OC)Cl
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Product OPENEYE NAME: 1-acetyl-5-methoxy-anthracene-9,10-dione
CAS Name: 1-acetyl-5-methoxyanthracene-9,10-dione
IUPAC NAME: 1-acetyl-5-methoxyanthracene-9,10-dione
SYSTEMATIC NAME: 1-ethanoyl-5-methoxy-anthracene-9,10-dione
MOLECULAR FORMULA: C17H12O4
MOLECULAR WEIGHT: 280.27478
SMILES: CC(=O)C1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)OC
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Product OPENEYE NAME: 1-[2-(2-chloro-4-fluoro-phenoxy)phenyl]-N-methyl-methanamine
CAS Name: 1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
IUPAC NAME: 1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
SYSTEMATIC NAME: 1-[2-(2-chloranyl-4-fluoranyl-phenoxy)phenyl]-N-methyl-methanamine
MOLECULAR FORMULA: C14H13ClFNO
MOLECULAR WEIGHT: 265.710523
SMILES: CNCC1=CC=CC=C1OC2=C(C=C(C=C2)F)Cl
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Product OPENEYE NAME: 1-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[(1R,3R)-3-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidyl]-3-hydroxy-1-methyl-propyl]urea
CAS Name: 1-[3-ethyl-5-(1-methyl-5-tetrazolyl)phenyl]-3-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]-4-hydroxybutan-2-yl]urea
IUPAC NAME: 1-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-hydroxybutan-2-yl]urea
SYSTEMATIC NAME: 1-[3-ethyl-5-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]-3-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-oxidanyl-butan-2-yl]urea
MOLECULAR FORMULA: C27H36FN7O2
MOLECULAR WEIGHT: 509.618843
SMILES: CCC1=CC(=CC(=C1)C2=NN=NN2C)NC(=O)N[C@H](C)C[C@H](N3CCC[C@H](C3)CC4=CC=C(C=C4)F)O
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Product OPENEYE NAME: sodium [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl] sulfate
CAS Name: sodium [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)-3-oxanyl]oxy]-3-oxanyl] sulfate
IUPAC NAME: sodium [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxyoxan-3-yl] sulfate
SYSTEMATIC NAME: sodium [(2R,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-sulfonatooxy-oxan-2-yl]oxy-6-methoxy-4,5-disulfonatooxy-oxan-2-yl]methyl sulfate
MOLECULAR FORMULA: C13H20NaO23S4-3
MOLECULAR WEIGHT: 695.53387
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+]
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Product OPENEYE NAME: sodium [(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)tetrahydropyran-3-yl]oxy-6-(sulfonatooxymethyl)tetrahydropyran-3-yl] sulfate
CAS Name: sodium [(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)-3-oxanyl]oxy]-6-(sulfonatooxymethyl)-3-oxanyl] sulfate
IUPAC NAME: sodium [(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate
SYSTEMATIC NAME: sodium [(2R,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4,5-bis(oxidanyl)-3-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-methoxy-4,5-disulfonatooxy-oxan-2-yl]methyl sulfate
MOLECULAR FORMULA: C13H19NaO26S5-4
MOLECULAR WEIGHT: 774.58913
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+]
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