Product OPENEYE NAME: (2S)-2-[[[(2S)-2-carboxy-2-hydroxy-ethyl]-(2,2-dimethylpropyl)carbamoyl]amino]-3-(2-naphthyl)propanoic acid
CAS Name: (2S)-2-[[[[(2S)-2-carboxy-2-hydroxyethyl]-(2,2-dimethylpropyl)amino]-oxomethyl]amino]-3-(2-naphthalenyl)propanoic acid
IUPAC NAME: (2S)-2-[[[(2S)-2-carboxy-2-hydroxyethyl]-(2,2-dimethylpropyl)carbamoyl]amino]-3-naphthalen-2-ylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[[(2S)-2,3-bis(oxidanyl)-3-oxidanylidene-propyl]-(2,2-dimethylpropyl)carbamoyl]amino]-3-naphthalen-2-yl-propanoic acid
MOLECULAR FORMULA: C22H28N2O6
MOLECULAR WEIGHT: 416.46752
SMILES: CC(C)(C)CN(C[C@@H](C(=O)O)O)C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)O
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Product OPENEYE NAME: N-[2-amino-5-(2-thienyl)phenyl]-4-[(2R)-2,3-diamino-3-oxo-propyl]benzamide
CAS Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[(2R)-2,3-diamino-3-oxopropyl]benzamide
IUPAC NAME: N-(2-amino-5-thiophen-2-ylphenyl)-4-[(2R)-2,3-diamino-3-oxopropyl]benzamide
SYSTEMATIC NAME: N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[(2R)-2,3-bis(azanyl)-3-oxidanylidene-propyl]benzamide
MOLECULAR FORMULA: C20H20N4O2S
MOLECULAR WEIGHT: 380.4634
SMILES: C1=CSC(=C1)C2=CC(=C(C=C2)N)NC(=O)C3=CC=C(C=C3)C[C@H](C(=O)N)N
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Product OPENEYE NAME: N-(2-hydroxy-5-phenyl-phenyl)benzamide
CAS Name: N-(2-hydroxy-5-phenylphenyl)benzamide
IUPAC NAME: N-(2-hydroxy-5-phenylphenyl)benzamide
SYSTEMATIC NAME: N-(2-oxidanyl-5-phenyl-phenyl)benzamide
MOLECULAR FORMULA: C19H15NO2
MOLECULAR WEIGHT: 289.3279
SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)O)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[5-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2-methyl-phenyl]-2,4-bis(methylamino)pyrimidine-5-carboxamide
CAS Name: N-[5-[[2-fluoro-3-(trifluoromethyl)anilino]-oxomethyl]-2-methylphenyl]-2,4-bis(methylamino)-5-pyrimidinecarboxamide
IUPAC NAME: N-[5-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]-2,4-bis(methylamino)pyrimidine-5-carboxamide
SYSTEMATIC NAME: N-[5-[[2-fluoranyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-methyl-phenyl]-2,4-bis(methylamino)pyrimidine-5-carboxamide
MOLECULAR FORMULA: C22H20F4N6O2
MOLECULAR WEIGHT: 476.426813
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2F)C(F)(F)F)NC(=O)C3=CN=C(N=C3NC)NC
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Product OPENEYE NAME: 2-[(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carbonyl)amino]-N-(1-methyl-4-piperidyl)thiazole-4-carboxamide
CAS Name: 2-[[(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-oxomethyl]amino]-N-(1-methyl-4-piperidinyl)-4-thiazolecarboxamide
IUPAC NAME: 2-[(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carbonyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: 2-[(4,4-dimethyl-1-oxidanylidene-2,3-dihydropyrazino[1,2-a]indol-7-yl)carbonylamino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C24H28N6O3S
MOLECULAR WEIGHT: 480.58252
SMILES: CC1(CNC(=O)C2=CC3=C(N21)C=C(C=C3)C(=O)NC4=NC(=CS4)C(=O)NC5CCN(CC5)C)C
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Product OPENEYE NAME: N-(1-benzyl-4-piperidyl)-2-[(4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carbonyl)amino]thiazole-4-carboxamide
CAS Name: 2-[[(4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-oxomethyl]amino]-N-[1-(phenylmethyl)-4-piperidinyl]-4-thiazolecarboxamide
IUPAC NAME: N-(1-benzylpiperidin-4-yl)-2-[(4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carbonyl)amino]-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: 2-[(4-methyl-1-oxidanylidene-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)carbonylamino]-N-[1-(phenylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C29H30N6O3S
MOLECULAR WEIGHT: 542.6519
SMILES: CC1CNC(=O)C2=CC3=C(N12)C=C(C=C3)C(=O)NC4=NC(=CS4)C(=O)NC5CCN(CC5)CC6=CC=CC=C6
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Product OPENEYE NAME: N-cyclohexyl-2-[(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carbonyl)amino]thiazole-4-carboxamide
CAS Name: N-cyclohexyl-2-[[(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-oxomethyl]amino]-4-thiazolecarboxamide
IUPAC NAME: N-cyclohexyl-2-[(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carbonyl)amino]-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-cyclohexyl-2-[(4,4-dimethyl-1-oxidanylidene-2,3-dihydropyrazino[1,2-a]indol-7-yl)carbonylamino]-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C24H27N5O3S
MOLECULAR WEIGHT: 465.56788
SMILES: CC1(CNC(=O)C2=CC3=C(N21)C=C(C=C3)C(=O)NC4=NC(=CS4)C(=O)NC5CCCCC5)C
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CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C84H117N21O23
MOLECULAR WEIGHT: 1788.95468
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](CC
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Product OPENEYE NAME: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2,5-dimethyl-3-oxo-pyridazin-4-yl)phenyl]propanoic acid
CAS Name: (2S)-2-[[(2,6-dichlorophenyl)-oxomethyl]amino]-3-[4-(2,5-dimethyl-3-oxo-4-pyridazinyl)phenyl]propanoic acid
IUPAC NAME: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2,5-dimethyl-3-oxopyridazin-4-yl)phenyl]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-(2,5-dimethyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoic acid
MOLECULAR FORMULA: C22H19Cl2N3O4
MOLECULAR WEIGHT: 460.30996
SMILES: CC1=C(C(=O)N(N=C1)C)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl
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Product OPENEYE NAME: 1-allyl-4-(phenoxymethyl)triazole
CAS Name: 4-(phenoxymethyl)-1-prop-2-enyltriazole
IUPAC NAME: 4-(phenoxymethyl)-1-prop-2-enyltriazole
SYSTEMATIC NAME: 4-(phenoxymethyl)-1-prop-2-enyl-1,2,3-triazole
MOLECULAR FORMULA: C12H13N3O
MOLECULAR WEIGHT: 215.25112
SMILES: C=CCN1C=C(N=N1)COC2=CC=CC=C2
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Product OPENEYE NAME: 2,6-dichloro-N-[(1S)-2-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]benzamide
CAS Name: 2,6-dichloro-N-[(1S)-2-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]benzamide
IUPAC NAME: 2,6-dichloro-N-[(1S)-2-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]benzamide
SYSTEMATIC NAME: 2,6-bis(chloranyl)-N-[(1S)-2-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]-1-(2H-1,2,3,4-tetrazol-5-yl)ethyl]benzamide
MOLECULAR FORMULA: C22H19Cl2N7O3
MOLECULAR WEIGHT: 500.33736
SMILES: CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)C[C@@H](C3=NNN=N3)NC(=O)C4=C(C=CC=C4Cl)Cl
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Product OPENEYE NAME: 5,7-dihydroxy-6-methoxy-8-(morpholinomethyl)-2-phenyl-chromen-4-one
CAS Name: 5,7-dihydroxy-6-methoxy-8-(4-morpholinylmethyl)-2-phenyl-1-benzopyran-4-one
IUPAC NAME: 5,7-dihydroxy-6-methoxy-8-(morpholin-4-ylmethyl)-2-phenylchromen-4-one
SYSTEMATIC NAME: 6-methoxy-8-(morpholin-4-ylmethyl)-5,7-bis(oxidanyl)-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C21H21NO6
MOLECULAR WEIGHT: 383.39454
SMILES: COC1=C(C2=C(C(=C1O)CN3CCOCC3)OC(=CC2=O)C4=CC=CC=C4)O
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Product OPENEYE NAME: 2-amino-N-[[2-phenyl-2-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)cyclopropyl]methyl]acetamide
CAS Name: 2-amino-N-[[2-[oxo(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-phenylcyclopropyl]methyl]acetamide
IUPAC NAME: 2-amino-N-[[2-phenyl-2-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)cyclopropyl]methyl]acetamide
SYSTEMATIC NAME: 2-azanyl-N-[[2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-ylcarbonyl)cyclopropyl]methyl]ethanamide
MOLECULAR FORMULA: C22H25N3O2
MOLECULAR WEIGHT: 363.4528
SMILES: C1CNC(C2=CC=CC=C21)C(=O)C3(CC3CNC(=O)CN)C4=CC=CC=C4
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Product OPENEYE NAME: (2S)-2-hydroxy-3-[4-(4-methylphenoxy)-N-(3-pyridylmethylsulfonyl)anilino]propanehydroxamic acid
CAS Name: (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-(3-pyridinylmethylsulfonyl)anilino]propanamide
IUPAC NAME: (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-(pyridin-3-ylmethylsulfonyl)anilino]propanamide
SYSTEMATIC NAME: (2S)-3-[[4-(4-methylphenoxy)phenyl]-(pyridin-3-ylmethylsulfonyl)amino]-N,2-bis(oxidanyl)propanamide
MOLECULAR FORMULA: C22H23N3O6S
MOLECULAR WEIGHT: 457.49952
SMILES: CC1=CC=C(C=C1)OC2=CC=C(C=C2)N(C[C@@H](C(=O)NO)O)S(=O)(=O)CC3=CN=CC=C3
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Product OPENEYE NAME: N-[(2S)-2-amino-3-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-(trifluoromethylsulfonylamino)propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]amino]-3-oxo-propyl]-2H-tetrazole-5-carboxamide
CAS Name: N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-(trifluoromethylsulfonylamino)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2H-tetrazole-5-carboxamide
IUPAC NAME: N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-(trifluoromethylsulfonylamino)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2H-tetrazole-5-carboxamide
SYSTEMATIC NAME: N-[(2S)-2-azanyl-3-[[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(trifluoromethylsulfonylamino)butan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propyl]-2H-1,2,3,4-t
MOLECULAR FORMULA: C27H39F3N10O8S
MOLECULAR WEIGHT: 720.72097
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NS(=O)(=O)C(F)(F)F)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CNC(=O)C2=NNN=N2)N
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Product OPENEYE NAME: 2-amino-N-[[2-(indoline-1-carbonyl)-2-phenyl-cyclopropyl]methyl]acetamide
CAS Name: 2-amino-N-[[2-[2,3-dihydroindol-1-yl(oxo)methyl]-2-phenylcyclopropyl]methyl]acetamide
IUPAC NAME: 2-amino-N-[[2-(2,3-dihydroindole-1-carbonyl)-2-phenylcyclopropyl]methyl]acetamide
SYSTEMATIC NAME: 2-azanyl-N-[[2-(2,3-dihydroindol-1-ylcarbonyl)-2-phenyl-cyclopropyl]methyl]ethanamide
MOLECULAR FORMULA: C21H23N3O2
MOLECULAR WEIGHT: 349.42622
SMILES: C1CN(C2=CC=CC=C21)C(=O)C3(CC3CNC(=O)CN)C4=CC=CC=C4
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Product OPENEYE NAME: (2S)-3-[N-benzylsulfonyl-4-(4-methylphenoxy)anilino]-2-hydroxy-propanehydroxamic acid
CAS Name: (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-(phenylmethyl)sulfonylanilino]propanamide
IUPAC NAME: (2S)-3-[N-benzylsulfonyl-4-(4-methylphenoxy)anilino]-N,2-dihydroxypropanamide
SYSTEMATIC NAME: (2S)-3-[[4-(4-methylphenoxy)phenyl]-(phenylmethyl)sulfonyl-amino]-N,2-bis(oxidanyl)propanamide
MOLECULAR FORMULA: C23H24N2O6S
MOLECULAR WEIGHT: 456.51146
SMILES: CC1=CC=C(C=C1)OC2=CC=C(C=C2)N(C[C@@H](C(=O)NO)O)S(=O)(=O)CC3=CC=CC=C3
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Product OPENEYE NAME: 2-(2-pyridyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
CAS Name: 2-(2-pyridinyl)-4-[4-[2-(1-pyrrolidinyl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
IUPAC NAME: 2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SYSTEMATIC NAME: 2-pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
MOLECULAR FORMULA: C24H29N3
MOLECULAR WEIGHT: 359.50716
SMILES: C1CCN(C1)CCC2=CC=C(C=C2)C3=CCC4C3CN(C4)C5=CC=CC=N5
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Product OPENEYE NAME: 2-cyclopentyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
CAS Name: 2-cyclopentyl-4-[4-[2-(1-pyrrolidinyl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
IUPAC NAME: 2-cyclopentyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SYSTEMATIC NAME: 2-cyclopentyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
MOLECULAR FORMULA: C24H34N2
MOLECULAR WEIGHT: 350.54016
SMILES: C1CCC(C1)N2CC3CC=C(C3C2)C4=CC=C(C=C4)CCN5CCCC5
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Product OPENEYE NAME: 2-isopropyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
CAS Name: 2-propan-2-yl-4-[4-[2-(1-pyrrolidinyl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
IUPAC NAME: 2-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SYSTEMATIC NAME: 2-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
MOLECULAR FORMULA: C22H32N2
MOLECULAR WEIGHT: 324.50288
SMILES: CC(C)N1CC2CC=C(C2C1)C3=CC=C(C=C3)CCN4CCCC4
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Product OPENEYE NAME: N-[2-[2-[[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-[1-(benzenesulfonyl)indol-3-yl]methyl]-6-bromo-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-acetamide
CAS Name: N-[2-[2-[[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-[1-(benzenesulfonyl)-3-indolyl]methyl]-6-bromo-1H-indol-3-yl]ethyl]-2,2,2-trifluoroacetamide
IUPAC NAME: N-[2-[2-[[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-[1-(benzenesulfonyl)indol-3-yl]methyl]-6-bromo-1H-indol-3-yl]ethyl]-2,2,2-trifluoroacetamide
SYSTEMATIC NAME: N-[2-[2-[[3-(2-azanylethyl)-6-bromanyl-1H-indol-2-yl]-[1-(phenylsulfonyl)indol-3-yl]methyl]-6-bromanyl-1H-indol-3-yl]ethyl]-2,2,2-tris(fluoranyl)ethanamide
MOLECULAR FORMULA: C37H30Br2F3N5O3S
MOLECULAR WEIGHT: 841.53401
SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(C4=C(C5=C(N4)C=C(C=C5)Br)CCN)C6=C(C7=C(N6)C=C(C=C7)Br)CCNC(=O)C(F)(F)F
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