Product OPENEYE NAME: (2S)-6-(isopropylcarbamoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S)-3,3-dimethyl-7-oxo-6-[[oxo-(propan-2-ylamino)methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S)-3,3-dimethyl-7-oxo-6-(propan-2-ylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S)-3,3-dimethyl-7-oxidanylidene-6-(propan-2-ylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C12H19N3O4S
MOLECULAR WEIGHT: 301.36196
SMILES: CC(C)NC(=O)NC1C2N(C1=O)[C@H](C(S2)(C)C)C(=O)O
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Product OPENEYE NAME: 2-hydroxy-3-phenyl-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-4-one
CAS Name: 2-hydroxy-3-phenyl-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-pyridinone
IUPAC NAME: 2-hydroxy-3-phenyl-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-4-one
SYSTEMATIC NAME: 2-oxidanyl-3-phenyl-6-propyl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-4-one
MOLECULAR FORMULA: C28H25N5O2
MOLECULAR WEIGHT: 463.5304
SMILES: CCCC1=CC(=O)C(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)O)C5=CC=CC=C5
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Product OPENEYE NAME: 2-hydroxy-3-methyl-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-4-one
CAS Name: 2-hydroxy-3-methyl-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-pyridinone
IUPAC NAME: 2-hydroxy-3-methyl-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-4-one
SYSTEMATIC NAME: 3-methyl-2-oxidanyl-6-propyl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-4-one
MOLECULAR FORMULA: C23H23N5O2
MOLECULAR WEIGHT: 401.46102
SMILES: CCCC1=CC(=O)C(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)O)C
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Product OPENEYE NAME: 2-oxo-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridine-4-carboxylic acid
CAS Name: 2-oxo-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-pyridinecarboxylic acid
IUPAC NAME: 2-oxo-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridine-4-carboxylic acid
SYSTEMATIC NAME: 2-oxidanylidene-6-propyl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyridine-4-carboxylic acid
MOLECULAR FORMULA: C23H21N5O3
MOLECULAR WEIGHT: 415.44454
SMILES: CCCC1=CC(=CC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O
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Product OPENEYE NAME: 6-butyl-2-hydroxy-3-nitro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-4-one
CAS Name: 6-butyl-2-hydroxy-3-nitro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-pyridinone
IUPAC NAME: 6-butyl-2-hydroxy-3-nitro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-4-one
SYSTEMATIC NAME: 6-butyl-3-nitro-2-oxidanyl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-4-one
MOLECULAR FORMULA: C23H22N6O4
MOLECULAR WEIGHT: 446.45858
SMILES: CCCCC1=CC(=O)C(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)O)[N+](=O)[O-]
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Product OPENEYE NAME: 4-benzyloxy-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
CAS Name: 4-phenylmethoxy-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-pyridinone
IUPAC NAME: 4-phenylmethoxy-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
SYSTEMATIC NAME: 4-phenylmethoxy-6-propyl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
MOLECULAR FORMULA: C29H27N5O2
MOLECULAR WEIGHT: 477.55698
SMILES: CCCC1=CC(=CC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)OCC5=CC=CC=C5
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Product OPENEYE NAME: (2S)-2-[2-(6-methoxy-2-naphthyl)propanoylamino]pentanedioic acid
CAS Name: (2S)-2-[[2-(6-methoxy-2-naphthalenyl)-1-oxopropyl]amino]pentanedioic acid
IUPAC NAME: (2S)-2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]pentanedioic acid
MOLECULAR FORMULA: C19H21NO6
MOLECULAR WEIGHT: 359.37314
SMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)N[C@@H](CCC(=O)O)C(=O)O
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Product OPENEYE NAME: 2-[4-[[4-[(3-chlorobenzothiophene-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrol-2-yl]-N-(2-morpholinoethyl)-3H-benzimidazole-5-carboxamide
CAS Name: 2-[4-[[[4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-N-[2-(4-morpholinyl)ethyl]-3H-benzimidazole-5-carboxamide
IUPAC NAME: 2-[4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrol-2-yl]-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
SYSTEMATIC NAME: 2-[4-[[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
MOLECULAR FORMULA: C34H33ClN8O4S
MOLECULAR WEIGHT: 685.19502
SMILES: CN1C=C(C=C1C2=NC3=C(N2)C=C(C=C3)C(=O)NCCN4CCOCC4)NC(=O)C5=CC(=CN5C)NC(=O)C6=C(C7=CC=CC=C7S6)Cl
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Product OPENEYE NAME: 3-(4-hydroxyphenyl)-2-[2-(6-methoxy-2-naphthyl)propanoylamino]propanoic acid
CAS Name: 3-(4-hydroxyphenyl)-2-[[2-(6-methoxy-2-naphthalenyl)-1-oxopropyl]amino]propanoic acid
IUPAC NAME: 3-(4-hydroxyphenyl)-2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]propanoic acid
SYSTEMATIC NAME: 3-(4-hydroxyphenyl)-2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]propanoic acid
MOLECULAR FORMULA: C23H23NO5
MOLECULAR WEIGHT: 393.43242
SMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O
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Product OPENEYE NAME: 5-chloro-2-phenyl-oxazolo[4,5-h]quinoline
CAS Name: 5-chloro-2-phenyloxazolo[4,5-h]quinoline
IUPAC NAME: 5-chloro-2-phenyl-[1,3]oxazolo[4,5-h]quinoline
SYSTEMATIC NAME: 5-chloranyl-2-phenyl-[1,3]oxazolo[4,5-h]quinoline
MOLECULAR FORMULA: C16H9ClN2O
MOLECULAR WEIGHT: 280.70846
SMILES: C1=CC=C(C=C1)C2=NC3=CC(=C4C=CC=NC4=C3O2)Cl
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Product OPENEYE NAME: ethyl 5-chloro-2-oxo-oxazolo[4,5-h]quinoline-3-carboxylate
CAS Name: 5-chloro-2-oxo-3-oxazolo[4,5-h]quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-chloro-2-oxo-[1,3]oxazolo[4,5-h]quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 5-chloranyl-2-oxidanylidene-[1,3]oxazolo[4,5-h]quinoline-3-carboxylate
MOLECULAR FORMULA: C13H9ClN2O4
MOLECULAR WEIGHT: 292.67456
SMILES: CCOC(=O)N1C2=CC(=C3C=CC=NC3=C2OC1=O)Cl
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Product OPENEYE NAME: 1-(3-furyl)-6-[[6-(3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl)-2-pyridyl]methoxy]isoquinoline-3-carbonitrile
CAS Name: 1-(3-furanyl)-6-[[6-(3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methoxy]-3-isoquinolinecarbonitrile
IUPAC NAME: 1-(furan-3-yl)-6-[[6-(3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl)pyridin-2-yl]methoxy]isoquinoline-3-carbonitrile
SYSTEMATIC NAME: 1-(furan-3-yl)-6-[[6-(3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl)pyridin-2-yl]methoxy]isoquinoline-3-carbonitrile
MOLECULAR FORMULA: C26H21N3O5
MOLECULAR WEIGHT: 455.46204
SMILES: C1C2COC(O2)CC1(C3=NC(=CC=C3)COC4=CC5=C(C=C4)C(=NC(=C5)C#N)C6=COC=C6)O
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Product OPENEYE NAME: 3-[6-[[4-(3-furyl)-7-isoquinolyl]oxymethyl]-2-pyridyl]-6,8-dioxabicyclo[3.2.1]octan-3-ol
CAS Name: 3-[6-[[4-(3-furanyl)-7-isoquinolinyl]oxymethyl]-2-pyridinyl]-6,8-dioxabicyclo[3.2.1]octan-3-ol
IUPAC NAME: 3-[6-[[4-(furan-3-yl)isoquinolin-7-yl]oxymethyl]pyridin-2-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol
SYSTEMATIC NAME: 3-[6-[[4-(furan-3-yl)isoquinolin-7-yl]oxymethyl]pyridin-2-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol
MOLECULAR FORMULA: C25H22N2O5
MOLECULAR WEIGHT: 430.45258
SMILES: C1C2COC(O2)CC1(C3=NC(=CC=C3)COC4=CC5=CN=CC(=C5C=C4)C6=COC=C6)O
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Product OPENEYE NAME: methyl (2S)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]-3-phenyl-propanoate
CAS Name: (2S)-2-[[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]-3-phenylpropanoate
SYSTEMATIC NAME: methyl (2S)-2-[[(1R,3S)-1-(3,5-dimethoxy-4-oxidanyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]carbonylamino]-3-phenyl-propanoate
MOLECULAR FORMULA: C30H31N3O6
MOLECULAR WEIGHT: 529.58364
SMILES: COC1=CC(=CC(=C1O)OC)[C@@H]2C3=C(C[C@H](N2)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OC)C5=CC=CC=C5N3
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Product OPENEYE NAME: 2-[4-[[4-[(2,4-difluorobenzoyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrol-2-yl]-N-(2-morpholinoethyl)-3H-benzimidazole-5-carboxamide
CAS Name: 2-[4-[[[4-[[(2,4-difluorophenyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-N-[2-(4-morpholinyl)ethyl]-3H-benzimidazole-5-carboxamide
IUPAC NAME: 2-[4-[[4-[(2,4-difluorobenzoyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrol-2-yl]-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
SYSTEMATIC NAME: 2-[4-[[4-[[2,4-bis(fluoranyl)phenyl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
MOLECULAR FORMULA: C32H32F2N8O4
MOLECULAR WEIGHT: 630.644486
SMILES: CN1C=C(C=C1C2=NC3=C(N2)C=C(C=C3)C(=O)NCCN4CCOCC4)NC(=O)C5=CC(=CN5C)NC(=O)C6=C(C=C(C=C6)F)F
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Product OPENEYE NAME: 3-[[(E)-(3-ethoxycarbonyl-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]amino]benzoic acid
CAS Name: 3-[[(E)-(3-ethoxycarbonyl-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]amino]benzoic acid
IUPAC NAME: 3-[[(E)-(3-ethoxycarbonyl-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]amino]benzoic acid
SYSTEMATIC NAME: 3-[[(E)-(3-ethoxycarbonyl-6-methyl-4-oxidanylidene-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]amino]benzoic acid
MOLECULAR FORMULA: C20H21N3O5
MOLECULAR WEIGHT: 383.39784
SMILES: CCOC(=O)C1=CN=C2/C(=C/NC3=CC=CC(=C3)C(=O)O)/CCC(N2C1=O)C
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Product OPENEYE NAME: 5-[(2-isopropylphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-isothiazole
CAS Name: 3-methyl-5-[(4-methyl-1-piperazinyl)-(2-propan-2-ylphenyl)methyl]isothiazole
IUPAC NAME: 3-methyl-5-[(4-methylpiperazin-1-yl)-(2-propan-2-ylphenyl)methyl]-1,2-thiazole
SYSTEMATIC NAME: 3-methyl-5-[(4-methylpiperazin-1-yl)-(2-propan-2-ylphenyl)methyl]-1,2-thiazole
MOLECULAR FORMULA: C19H27N3S
MOLECULAR WEIGHT: 329.50278
SMILES: CC1=NSC(=C1)C(C2=CC=CC=C2C(C)C)N3CCN(CC3)C
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Product OPENEYE NAME: 4-[(2-chlorophenyl)-piperazin-1-yl-methyl]-3,5-dimethyl-isoxazole
CAS Name: 4-[(2-chlorophenyl)-(1-piperazinyl)methyl]-3,5-dimethylisoxazole
IUPAC NAME: 4-[(2-chlorophenyl)-piperazin-1-ylmethyl]-3,5-dimethyl-1,2-oxazole
SYSTEMATIC NAME: 4-[(2-chlorophenyl)-piperazin-1-yl-methyl]-3,5-dimethyl-1,2-oxazole
MOLECULAR FORMULA: C16H20ClN3O
MOLECULAR WEIGHT: 305.8025
SMILES: CC1=C(C(=NO1)C)C(C2=CC=CC=C2Cl)N3CCNCC3
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Product OPENEYE NAME: 4-[(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-3,5-dimethyl-isoxazole
CAS Name: 4-[(2-chlorophenyl)-(4-methyl-1-piperazinyl)methyl]-3,5-dimethylisoxazole
IUPAC NAME: 4-[(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
SYSTEMATIC NAME: 4-[(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
MOLECULAR FORMULA: C17H22ClN3O
MOLECULAR WEIGHT: 319.82908
SMILES: CC1=C(C(=NO1)C)C(C2=CC=CC=C2Cl)N3CCN(CC3)C
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Product OPENEYE NAME: 5-[(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-isothiazole
CAS Name: 5-[(2-chlorophenyl)-(4-methyl-1-piperazinyl)methyl]-3-methylisothiazole
IUPAC NAME: 5-[(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
SYSTEMATIC NAME: 5-[(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
MOLECULAR FORMULA: C16H20ClN3S
MOLECULAR WEIGHT: 321.8681
SMILES: CC1=NSC(=C1)C(C2=CC=CC=C2Cl)N3CCN(CC3)C
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Product OPENEYE NAME: 3-methyl-5-[(4-methylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methyl]isothiazole
CAS Name: 3-methyl-5-[(4-methyl-1-piperazinyl)-[3-(trifluoromethyl)phenyl]methyl]isothiazole
IUPAC NAME: 3-methyl-5-[(4-methylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole
SYSTEMATIC NAME: 3-methyl-5-[(4-methylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole
MOLECULAR FORMULA: C17H20F3N3S
MOLECULAR WEIGHT: 355.42101
SMILES: CC1=NSC(=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCN(CC3)C
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Product OPENEYE NAME: 5-[(2-ethylphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-isothiazole
CAS Name: 5-[(2-ethylphenyl)-(4-methyl-1-piperazinyl)methyl]-3-methylisothiazole
IUPAC NAME: 5-[(2-ethylphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
SYSTEMATIC NAME: 5-[(2-ethylphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
MOLECULAR FORMULA: C18H25N3S
MOLECULAR WEIGHT: 315.4762
SMILES: CCC1=CC=CC=C1C(C2=CC(=NS2)C)N3CCN(CC3)C
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Product OPENEYE NAME: [(1R)-5-amino-1-[[2-[(2-benzylbenzoyl)-methyl-amino]acetyl]amino]pentyl]boronic acid
CAS Name: [(1R)-5-amino-1-[[2-[methyl-[oxo-[2-(phenylmethyl)phenyl]methyl]amino]-1-oxoethyl]amino]pentyl]boronic acid
IUPAC NAME: [(1R)-5-amino-1-[[2-[(2-benzylbenzoyl)-methylamino]acetyl]amino]pentyl]boronic acid
SYSTEMATIC NAME: [(1R)-5-azanyl-1-[2-[methyl-[2-(phenylmethyl)phenyl]carbonyl-amino]ethanoylamino]pentyl]boronic acid
MOLECULAR FORMULA: C22H30BN3O4
MOLECULAR WEIGHT: 411.3023
SMILES: B([C@H](CCCCN)NC(=O)CN(C)C(=O)C1=CC=CC=C1CC2=CC=CC=C2)(O)O
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Product OPENEYE NAME: sodium (2S)-6-[[(E)-2-(3,4-dichlorophenyl)vinyl]carbamoylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: sodium (2S)-6-[[[[(E)-2-(3,4-dichlorophenyl)ethenyl]amino]-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC NAME: sodium (2S)-6-[[(E)-2-(3,4-dichlorophenyl)ethenyl]carbamoylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: sodium (2S)-6-[[(E)-2-(3,4-dichlorophenyl)ethenyl]carbamoylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C17H16Cl2N3NaO4S
MOLECULAR WEIGHT: 452.28741
SMILES: CC1([C@@H](N2C(S1)C(C2=O)NC(=O)N/C=C/C3=CC(=C(C=C3)Cl)Cl)C(=O)[O-])C.[Na+]
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