Product OPENEYE NAME: 3-[3-[4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoylamino]propanoylamino]propanoic acid
CAS Name: 3-[[3-[[4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]-1-oxobutyl]amino]-1-oxopropyl]amino]propanoic acid
IUPAC NAME: 3-[3-[4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoylamino]propanoylamino]propanoic acid
SYSTEMATIC NAME: 3-[3-[4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoylamino]propanoylamino]propanoic acid
MOLECULAR FORMULA: C24H31BrN4O7
MOLECULAR WEIGHT: 567.42954
SMILES: CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Br)CCCC(=O)NCCC(=O)NCCC(=O)O)C
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Product OPENEYE NAME: 3-[[(3S)-7-amino-3-[4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoylamino]heptanoyl]amino]propanoic acid
CAS Name: 3-[[(3S)-7-amino-3-[[4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]-1-oxobutyl]amino]-1-oxoheptyl]amino]propanoic acid
IUPAC NAME: 3-[[(3S)-7-amino-3-[4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoylamino]heptanoyl]amino]propanoic acid
SYSTEMATIC NAME: 3-[[(3S)-7-azanyl-3-[4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoylamino]heptanoyl]amino]propanoic acid
MOLECULAR FORMULA: C28H40BrN5O7
MOLECULAR WEIGHT: 638.5505
SMILES: CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Br)CCCC(=O)N[C@@H](CCCCN)CC(=O)NCCC(=O)O)C
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Product OPENEYE NAME: 3-(6-chloropurin-7-yl)-1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
CAS Name: 3-(6-chloro-7-purinyl)-1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
IUPAC NAME: 3-(6-chloropurin-7-yl)-1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
SYSTEMATIC NAME: 3-(6-chloranylpurin-7-yl)-1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
MOLECULAR FORMULA: C20H15ClN6O5S
MOLECULAR WEIGHT: 486.8883
SMILES: C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=NC5=C4C(=NC=N5)Cl
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Product OPENEYE NAME: 3-(6-chloropurin-9-yl)-1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
CAS Name: 3-(6-chloro-9-purinyl)-1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
IUPAC NAME: 3-(6-chloropurin-9-yl)-1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
SYSTEMATIC NAME: 3-(6-chloranylpurin-9-yl)-1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
MOLECULAR FORMULA: C20H15ClN6O5S
MOLECULAR WEIGHT: 486.8883
SMILES: C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])N4C=NC5=C4N=CN=C5Cl
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Product OPENEYE NAME: (4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(pyrrolidin-1-ylmethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
CAS Name: (4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(1-pyrrolidinylmethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
IUPAC NAME: (4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(pyrrolidin-1-ylmethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
SYSTEMATIC NAME: (4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(pyrrolidin-1-ylmethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
MOLECULAR FORMULA: C31H37FN4O2S
MOLECULAR WEIGHT: 548.714483
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(C[C@@]3(C2)CN5CCCC5)C=NN4C6=CC=C(C=C6)F
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Product OPENEYE NAME: (4aS)-1-(4-fluorophenyl)-4a-methyl-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
CAS Name: (4aS)-1-(4-fluorophenyl)-4a-methyl-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
IUPAC NAME: (4aS)-1-(4-fluorophenyl)-4a-methyl-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
SYSTEMATIC NAME: (4aS)-1-(4-fluorophenyl)-4a-methyl-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
MOLECULAR FORMULA: C24H21F4N3O2S
MOLECULAR WEIGHT: 491.501053
SMILES: C[C@]12CC3=C(C=C1CCN(C2)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)N(N=C3)C5=CC=C(C=C5)F
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Product OPENEYE NAME: 7-[(2-ethyl-6-methyl-phenyl)methylamino]-3-(hydroxymethyl)-N,N,2-trimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
CAS Name: 7-[(2-ethyl-6-methylphenyl)methylamino]-3-(hydroxymethyl)-N,N,2-trimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
IUPAC NAME: 7-[(2-ethyl-6-methylphenyl)methylamino]-3-(hydroxymethyl)-N,N,2-trimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SYSTEMATIC NAME: 7-[(2-ethyl-6-methyl-phenyl)methylamino]-3-(hydroxymethyl)-N,N,2-trimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
MOLECULAR FORMULA: C22H28N4O2
MOLECULAR WEIGHT: 380.48332
SMILES: CCC1=CC=CC(=C1CNC2=CC(=NC3=C2NC(=C3CO)C)C(=O)N(C)C)C
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Product OPENEYE NAME: 7-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-N,N,2-trimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
CAS Name: 7-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-N,N,2-trimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
IUPAC NAME: 7-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-N,N,2-trimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SYSTEMATIC NAME: 7-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-N,N,2-trimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
MOLECULAR FORMULA: C21H26N4O2
MOLECULAR WEIGHT: 366.45674
SMILES: CC1=C(C(=CC=C1)C)CNC2=CC(=NC3=C2NC(=C3CO)C)C(=O)N(C)C
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Product OPENEYE NAME: (6Z)-6-[2-methyl-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[2-methyl-5-[(1-methyl-2-imidazolyl)thio]-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[2-methyl-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[2-methyl-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C15H14N4OS
MOLECULAR WEIGHT: 298.36286
SMILES: CC1=NC=C(/C(=C/2\C=CC=CC2=O)/N1)SC3=NC=CN3C
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Product OPENEYE NAME: N-[(1S,2R)-1-benzyl-3-[[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]amino]-2-hydroxy-propyl]-3-(isopropylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
CAS Name: N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-oxo-1-pyrrolidinyl)-5-(propan-2-ylamino)benzamide
IUPAC NAME: N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-oxopyrrolidin-1-yl)-5-(propan-2-ylamino)benzamide
SYSTEMATIC NAME: N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-(2-oxidanylidenepyrrolidin-1-yl)-5-(propan-2-ylamino)benzamide
MOLECULAR FORMULA: C33H47N5O4
MOLECULAR WEIGHT: 577.75738
SMILES: C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)NC(C)C)N4CCCC4=O)O
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Product OPENEYE NAME: N-[(1S,2R)-1-benzyl-3-[[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]amino]-2-hydroxy-propyl]-3-(isobutylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
CAS Name: N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-methylpropylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide
IUPAC NAME: N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
SYSTEMATIC NAME: N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-(2-methylpropylamino)-5-(2-oxidanylidenepyrrolidin-1-yl)benzamide
MOLECULAR FORMULA: C34H49N5O4
MOLECULAR WEIGHT: 591.78396
SMILES: C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)NCC(C)C)N4CCCC4=O)O
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Product OPENEYE NAME: 3-bromo-7-[(2,6-dimethylphenyl)methylamino]-N,N,2-trimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
CAS Name: 3-bromo-7-[(2,6-dimethylphenyl)methylamino]-N,N,2-trimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
IUPAC NAME: 3-bromo-7-[(2,6-dimethylphenyl)methylamino]-N,N,2-trimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SYSTEMATIC NAME: 3-bromanyl-7-[(2,6-dimethylphenyl)methylamino]-N,N,2-trimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
MOLECULAR FORMULA: C20H23BrN4O
MOLECULAR WEIGHT: 415.32682
SMILES: CC1=C(C(=CC=C1)C)CNC2=CC(=NC3=C2NC(=C3Br)C)C(=O)N(C)C
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Product OPENEYE NAME: (2S)-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CAS Name: (2S)-1-[3-(1-methyl-2-benzimidazolyl)-1-oxopropyl]-N-(2-phenylphenyl)-2-pyrrolidinecarboxamide
IUPAC NAME: (2S)-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C28H28N4O2
MOLECULAR WEIGHT: 452.54752
SMILES: CN1C2=CC=CC=C2N=C1CCC(=O)N3CCC[C@H]3C(=O)NC4=CC=CC=C4C5=CC=CC=C5
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Product OPENEYE NAME: (2S)-1-[2-(1,6-dimethylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CAS Name: (2S)-1-[2-[(1,6-dimethyl-2-benzimidazolyl)thio]-1-oxoethyl]-N-[2-(1-pyrrolyl)phenyl]-2-pyrrolidinecarboxamide
IUPAC NAME: (2S)-1-[2-(1,6-dimethylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-1-[2-(1,6-dimethylbenzimidazol-2-yl)sulfanylethanoyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C26H27N5O2S
MOLECULAR WEIGHT: 473.58988
SMILES: CC1=CC2=C(C=C1)N=C(N2C)SCC(=O)N3CCC[C@H]3C(=O)NC4=CC=CC=C4N5C=CC=C5
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IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C117H170N26O35S2
MOLECULAR WEIGHT: 2564.8849
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)NC(=O)OCC6=CC=C(C=C6)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]7CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(
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Product OPENEYE NAME: 4-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-5-phenyl-oxazole-2-carboxamidine
CAS Name: 4-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-5-phenyl-2-oxazolecarboximidamide
IUPAC NAME: 4-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-5-phenyl-1,3-oxazole-2-carboximidamide
SYSTEMATIC NAME: 4-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-5-phenyl-1,3-oxazole-2-carboximidamide
MOLECULAR FORMULA: C23H17Cl2N3O3S
MOLECULAR WEIGHT: 486.37038
SMILES: CN=C(C1=NC(=C(O1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)NS(=O)(=O)C4=CC=C(C=C4)Cl
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MOLECULAR FORMULA: C80H112N20O22
MOLECULAR WEIGHT: 1705.86608
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3C[C@H](C[C@H]3C(=O)N[C@@H](CCC(=O)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)N7CCC[C@H]7C(=O)N[C@@H](CCC
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Product OPENEYE NAME: 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-oxazole-2-carboxamidine
CAS Name: 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-2-oxazolecarboximidamide
IUPAC NAME: 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-1,3-oxazole-2-carboximidamide
SYSTEMATIC NAME: 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-1,3-oxazole-2-carboximidamide
MOLECULAR FORMULA: C23H17Cl2N3O3S
MOLECULAR WEIGHT: 486.37038
SMILES: CN=C(C1=NC(=C(O1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl
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