Product OPENEYE NAME: tert-butyl N-[(1R)-1-[2-[[4-[2-[[(2R)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]ethylcarbamoyl]-3-methylsulfanyl-propyl]carbamate
CAS Name: N-[(2R)-1-[2-[[5,8-dihydroxy-4-[2-[[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]ethylamino]-9,10-dioxo-1-anthracenyl]amino]ethylamino]-4-(methylthio)-1-oxobutan-2-yl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[(2R)-1-[2-[[5,8-dihydroxy-4-[2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2R)-1-[2-[[4-[2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C38H54N6O10S2
MOLECULAR WEIGHT: 818.99956
SMILES: CC(C)(C)OC(=O)N[C@H](CCSC)C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)C(=O)C3=C(C=CC(=C3C2=O)O)O
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Product OPENEYE NAME: 4-[3-[1-benzhydryl-5-chloro-2-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]indol-3-yl]propyl]benzoic acid
CAS Name: 4-[3-[5-chloro-1-(diphenylmethyl)-2-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]-3-indolyl]propyl]benzoic acid
IUPAC NAME: 4-[3-[1-benzhydryl-5-chloro-2-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]indol-3-yl]propyl]benzoic acid
SYSTEMATIC NAME: 4-[3-[5-chloranyl-1-(diphenylmethyl)-2-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]indol-3-yl]propyl]benzoic acid
MOLECULAR FORMULA: C40H37ClN2O5S
MOLECULAR WEIGHT: 693.25018
SMILES: COC1=CC=CC=C1S(=O)(=O)NCCC2=C(C3=C(N2C(C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C3)Cl)CCCC6=CC=C(C=C6)C(=O)O
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MOLECULAR FORMULA: C29H28ClN3O4
MOLECULAR WEIGHT: 518.00332
SMILES: CCC1(CC(=O)OCC2=C1C=C3C4=NC5=CC(=C(C=C5C(=C4CN3C2=O)C[N+]6=CC=CC=C6)C)C)O.[Cl-]
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MOLECULAR FORMULA: C29H28N3O4+
MOLECULAR WEIGHT: 482.55032
SMILES: CCC1(CC(=O)OCC2=C1C=C3C4=NC5=CC(=C(C=C5C(=C4CN3C2=O)C[N+]6=CC=CC=C6)C)C)O
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Product OPENEYE NAME: (2S)-2-amino-N-[2-[[4-[2-[[(2S)-2-amino-3-tert-butoxy-propanoyl]amino]ethylamino]-9,10-dioxo-1-anthryl]amino]ethyl]-3-tert-butoxy-propanamide
CAS Name: (2S)-2-amino-N-[2-[[4-[2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropyl]amino]ethylamino]-9,10-dioxo-1-anthracenyl]amino]ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide
IUPAC NAME: (2S)-2-amino-N-[2-[[4-[2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide
SYSTEMATIC NAME: (2S)-2-azanyl-N-[2-[[4-[2-[[(2S)-2-azanyl-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]ethylamino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide
MOLECULAR FORMULA: C32H46N6O6
MOLECULAR WEIGHT: 610.74424
SMILES: CC(C)(C)OC[C@@H](C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)[C@H](COC(C)(C)C)N)C(=O)C3=CC=CC=C3C2=O)N
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Product OPENEYE NAME: [(3S)-3-(hexadecanoylamino)-2-hydroxy-4-phenyl-butyl]phosphonic acid
CAS Name: [(3S)-2-hydroxy-3-(1-oxohexadecylamino)-4-phenylbutyl]phosphonic acid
IUPAC NAME: [(3S)-3-(hexadecanoylamino)-2-hydroxy-4-phenylbutyl]phosphonic acid
SYSTEMATIC NAME: [(3S)-3-(hexadecanoylamino)-2-oxidanyl-4-phenyl-butyl]phosphonic acid
MOLECULAR FORMULA: C26H46NO5P
MOLECULAR WEIGHT: 483.620901
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(CP(=O)(O)O)O
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Product OPENEYE NAME: 1-acetyl-4-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)imidazol-2-one
CAS Name: 1-acetyl-4-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)-2-imidazolone
IUPAC NAME: 1-acetyl-4-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)imidazol-2-one
SYSTEMATIC NAME: 4-[2,4-bis(fluoranyl)phenyl]-1-ethanoyl-3-(3,4,5-trimethoxyphenyl)imidazol-2-one
MOLECULAR FORMULA: C20H18F2N2O5
MOLECULAR WEIGHT: 404.364126
SMILES: CC(=O)N1C=C(N(C1=O)C2=CC(=C(C(=C2)OC)OC)OC)C3=C(C=C(C=C3)F)F
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Product OPENEYE NAME: N-[(1S)-1-[2-[4-[(3S,4R)-4-(3,5-difluorophenyl)-1-isopropyl-pyrrolidine-3-carbonyl]piperazin-1-yl]-3-fluoro-phenyl]-2-methyl-propyl]-3-(dimethylamino)propanamide
CAS Name: N-[(1S)-1-[2-[4-[[(3S,4R)-4-(3,5-difluorophenyl)-1-propan-2-yl-3-pyrrolidinyl]-oxomethyl]-1-piperazinyl]-3-fluorophenyl]-2-methylpropyl]-3-(dimethylamino)propanamide
IUPAC NAME: N-[(1S)-1-[2-[4-[(3S,4R)-4-(3,5-difluorophenyl)-1-propan-2-ylpyrrolidine-3-carbonyl]piperazin-1-yl]-3-fluorophenyl]-2-methylpropyl]-3-(dimethylamino)propanamide
SYSTEMATIC NAME: N-[(1S)-1-[2-[4-[(3S,4R)-4-[3,5-bis(fluoranyl)phenyl]-1-propan-2-yl-pyrrolidin-3-yl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]-2-methyl-propyl]-3-(dimethylamino)propanamide
MOLECULAR FORMULA: C33H46F3N5O2
MOLECULAR WEIGHT: 601.74585
SMILES: CC(C)[C@@H](C1=C(C(=CC=C1)F)N2CCN(CC2)C(=O)[C@@H]3CN(C[C@H]3C4=CC(=CC(=C4)F)F)C(C)C)NC(=O)CCN(C)C
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Product OPENEYE NAME: 3-(dimethylamino)-N-[(1S)-1-[3-fluoro-2-[4-[(3S,4R)-1-isopropyl-4-(3,4,5-trifluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]phenyl]-2-methyl-propyl]propanamide
CAS Name: 3-(dimethylamino)-N-[(1S)-1-[3-fluoro-2-[4-[oxo-[(3S,4R)-1-propan-2-yl-4-(3,4,5-trifluorophenyl)-3-pyrrolidinyl]methyl]-1-piperazinyl]phenyl]-2-methylpropyl]propanamide
IUPAC NAME: 3-(dimethylamino)-N-[(1S)-1-[3-fluoro-2-[4-[(3S,4R)-1-propan-2-yl-4-(3,4,5-trifluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]phenyl]-2-methylpropyl]propanamide
SYSTEMATIC NAME: 3-(dimethylamino)-N-[(1S)-1-[3-fluoranyl-2-[4-[(3S,4R)-1-propan-2-yl-4-[3,4,5-tris(fluoranyl)phenyl]pyrrolidin-3-yl]carbonylpiperazin-1-yl]phenyl]-2-methyl-propyl]propanamide
MOLECULAR FORMULA: C33H45F4N5O2
MOLECULAR WEIGHT: 619.736313
SMILES: CC(C)[C@@H](C1=C(C(=CC=C1)F)N2CCN(CC2)C(=O)[C@@H]3CN(C[C@H]3C4=CC(=C(C(=C4)F)F)F)C(C)C)NC(=O)CCN(C)C
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Product OPENEYE NAME: 1-[[4-(4-fluorophenyl)-2-thienyl]methyl]imidazole
CAS Name: 1-[[4-(4-fluorophenyl)-2-thiophenyl]methyl]imidazole
IUPAC NAME: 1-[[4-(4-fluorophenyl)thiophen-2-yl]methyl]imidazole
SYSTEMATIC NAME: 1-[[4-(4-fluorophenyl)thiophen-2-yl]methyl]imidazole
MOLECULAR FORMULA: C14H11FN2S
MOLECULAR WEIGHT: 258.313943
SMILES: C1=CC(=CC=C1C2=CSC(=C2)CN3C=CN=C3)F
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Product OPENEYE NAME: 4-methyl-N-propyl-1,4-dihydroquinazolin-2-amine
CAS Name: 4-methyl-N-propyl-1,4-dihydroquinazolin-2-amine
IUPAC NAME: 4-methyl-N-propyl-1,4-dihydroquinazolin-2-amine
SYSTEMATIC NAME: 4-methyl-N-propyl-1,4-dihydroquinazolin-2-amine
MOLECULAR FORMULA: C12H17N3
MOLECULAR WEIGHT: 203.28348
SMILES: CCCNC1=NC(C2=CC=CC=C2N1)C
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