Product OPENEYE NAME: 4-methyl-5-[(4-methylpiperazin-1-yl)-(o-tolyl)methyl]isothiazole
CAS Name: 4-methyl-5-[(2-methylphenyl)-(4-methyl-1-piperazinyl)methyl]isothiazole
IUPAC NAME: 4-methyl-5-[(2-methylphenyl)-(4-methylpiperazin-1-yl)methyl]-1,2-thiazole
SYSTEMATIC NAME: 4-methyl-5-[(2-methylphenyl)-(4-methylpiperazin-1-yl)methyl]-1,2-thiazole
MOLECULAR FORMULA: C17H23N3S
MOLECULAR WEIGHT: 301.44962
SMILES: CC1=CC=CC=C1C(C2=C(C=NS2)C)N3CCN(CC3)C
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Product OPENEYE NAME: 5-[(4-isopropylphenyl)-(4-methylpiperazin-1-yl)methyl]isothiazole
CAS Name: 5-[(4-methyl-1-piperazinyl)-(4-propan-2-ylphenyl)methyl]isothiazole
IUPAC NAME: 5-[(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
SYSTEMATIC NAME: 5-[(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
MOLECULAR FORMULA: C18H25N3S
MOLECULAR WEIGHT: 315.4762
SMILES: CC(C)C1=CC=C(C=C1)C(C2=CC=NS2)N3CCN(CC3)C
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Product OPENEYE NAME: (1S,2S)-N1-[(1R)-1-formyl-4-guanidino-butyl]-N2-methyl-N2-(2-phenylethyl)cyclohexane-1,2-dicarboxamide
CAS Name: (1S,2S)-N1-[(2R)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N2-methyl-N2-(2-phenylethyl)cyclohexane-1,2-dicarboxamide
IUPAC NAME: (1S,2S)-1-N-[(2R)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-N-methyl-2-N-(2-phenylethyl)cyclohexane-1,2-dicarboxamide
SYSTEMATIC NAME: (1S,2S)-N1-[(2R)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-N2-methyl-N2-(2-phenylethyl)cyclohexane-1,2-dicarboxamide
MOLECULAR FORMULA: C23H35N5O3
MOLECULAR WEIGHT: 429.5557
SMILES: CN(CCC1=CC=CC=C1)C(=O)[C@H]2CCCC[C@@H]2C(=O)N[C@H](CCCN=C(N)N)C=O
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Product OPENEYE NAME: 2-[4-[(4-isobutylphenyl)-(4-methylisothiazol-5-yl)methyl]piperazin-1-yl]ethanol
CAS Name: 2-[4-[(4-methyl-5-isothiazolyl)-[4-(2-methylpropyl)phenyl]methyl]-1-piperazinyl]ethanol
IUPAC NAME: 2-[4-[[4-(2-methylpropyl)phenyl]-(4-methyl-1,2-thiazol-5-yl)methyl]piperazin-1-yl]ethanol
SYSTEMATIC NAME: 2-[4-[[4-(2-methylpropyl)phenyl]-(4-methyl-1,2-thiazol-5-yl)methyl]piperazin-1-yl]ethanol
MOLECULAR FORMULA: C21H31N3OS
MOLECULAR WEIGHT: 373.55534
SMILES: CC1=C(SN=C1)C(C2=CC=C(C=C2)CC(C)C)N3CCN(CC3)CCO
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Product OPENEYE NAME: ethyl 9,9a-dihydro-4aH-pyrido[3,4-b]indole-3-carboxylate
CAS Name: 9,9a-dihydro-4aH-pyrido[3,4-b]indole-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 9,9a-dihydro-4aH-pyrido[3,4-b]indole-3-carboxylate
SYSTEMATIC NAME: ethyl 9,9a-dihydro-4aH-pyrido[3,4-b]indole-3-carboxylate
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: CCOC(=O)C1=CC2C(C=N1)NC3=CC=CC=C23
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Product OPENEYE NAME: 1-[4-[(4-isopropylphenyl)-(4-methylisothiazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
CAS Name: 1-[4-[(4-methyl-5-isothiazolyl)-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]-2-propanol
IUPAC NAME: 1-[4-[(4-methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-[4-[(4-methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C21H31N3OS
MOLECULAR WEIGHT: 373.55534
SMILES: CC1=C(SN=C1)C(C2=CC=C(C=C2)C(C)C)N3CCN(CC3)CC(C)O
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Product OPENEYE NAME: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[(2R)-3-amino-6-[1-(methylamino)ethyl]tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-4-(methylamino)tetrahydropyran-3,5-diol; sulfuric acid
CAS Name: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[[(2R)-3-amino-6-[1-(methylamino)ethyl]-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol; sulfuric acid
IUPAC NAME: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[(2R)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol; sulfuric acid
SYSTEMATIC NAME: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-bis(azanyl)-3-[(2R)-3-azanyl-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-4-(methylamino)oxane-3,5-diol; sulfuric acid
MOLECULAR FORMULA: C20H43N5O11S
MOLECULAR WEIGHT: 561.64732
SMILES: CC(C1CCC([C@H](O1)OC2[C@H](C[C@H]([C@@H](C2O)O[C@H]3C([C@H]([C@H](CO3)O)NC)O)N)N)N)NC.OS(=O)(=O)O
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Product OPENEYE NAME: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[(2R)-3-amino-6-[1-(methylamino)ethyl]tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-4-(methylamino)tetrahydropyran-3,5-diol
CAS Name: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[[(2R)-3-amino-6-[1-(methylamino)ethyl]-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
IUPAC NAME: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[(2R)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
SYSTEMATIC NAME: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-bis(azanyl)-3-[(2R)-3-azanyl-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
MOLECULAR FORMULA: C20H41N5O7
MOLECULAR WEIGHT: 463.56884
SMILES: CC(C1CCC([C@H](O1)OC2[C@H](C[C@H]([C@@H](C2O)O[C@H]3C([C@H]([C@H](CO3)O)NC)O)N)N)N)NC
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Product OPENEYE NAME: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[(2R)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-4-(methylamino)tetrahydropyran-3,5-diol; sulfuric acid
CAS Name: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[[(2R)-3-amino-6-(aminomethyl)-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol; sulfuric acid
IUPAC NAME: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[(2R)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol; sulfuric acid
SYSTEMATIC NAME: (2S,4S,5R)-2-[(1S,4S,6R)-3-[(2R)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-4-(methylamino)oxane-3,5-diol; sulfuric acid
MOLECULAR FORMULA: C18H39N5O11S
MOLECULAR WEIGHT: 533.59416
SMILES: CN[C@H]1[C@H](CO[C@H](C1O)O[C@H]2[C@@H](C[C@@H](C(C2O)O[C@@H]3C(CCC(O3)CN)N)N)N)O.OS(=O)(=O)O
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Product OPENEYE NAME: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[(2R)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-4-(methylamino)tetrahydropyran-3,5-diol
CAS Name: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[[(2R)-3-amino-6-(aminomethyl)-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
IUPAC NAME: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[(2R)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
SYSTEMATIC NAME: (2S,4S,5R)-2-[(1S,4S,6R)-3-[(2R)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
MOLECULAR FORMULA: C18H37N5O7
MOLECULAR WEIGHT: 435.51568
SMILES: CN[C@H]1[C@H](CO[C@H](C1O)O[C@H]2[C@@H](C[C@@H](C(C2O)O[C@@H]3C(CCC(O3)CN)N)N)N)O
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Product OPENEYE NAME: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[(2R)-3-amino-6-(1-aminoethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-4-(methylamino)tetrahydropyran-3,5-diol; sulfuric acid
CAS Name: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[[(2R)-3-amino-6-(1-aminoethyl)-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol; sulfuric acid
IUPAC NAME: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[(2R)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol; sulfuric acid
SYSTEMATIC NAME: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-bis(azanyl)-3-[(2R)-3-azanyl-6-(1-azanylethyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-4-(methylamino)oxane-3,5-diol; sulfuric acid
MOLECULAR FORMULA: C19H41N5O11S
MOLECULAR WEIGHT: 547.62074
SMILES: CC(C1CCC([C@H](O1)OC2[C@H](C[C@H]([C@@H](C2O)O[C@H]3C([C@H]([C@H](CO3)O)NC)O)N)N)N)N.OS(=O)(=O)O
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Product OPENEYE NAME: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[(2R)-3-amino-6-(1-aminoethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-4-(methylamino)tetrahydropyran-3,5-diol
CAS Name: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[[(2R)-3-amino-6-(1-aminoethyl)-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
IUPAC NAME: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-diamino-3-[(2R)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
SYSTEMATIC NAME: (2S,4S,5R)-2-[(1S,4S,6R)-4,6-bis(azanyl)-3-[(2R)-3-azanyl-6-(1-azanylethyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
MOLECULAR FORMULA: C19H39N5O7
MOLECULAR WEIGHT: 449.54226
SMILES: CC(C1CCC([C@H](O1)OC2[C@H](C[C@H]([C@@H](C2O)O[C@H]3C([C@H]([C@H](CO3)O)NC)O)N)N)N)N
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Product OPENEYE NAME: methyl (2S)-1-[(1R,3S)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]pyrrolidine-2-carboxylate
CAS Name: (2S)-1-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester
IUPAC NAME: methyl (2S)-1-[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]pyrrolidine-2-carboxylate
SYSTEMATIC NAME: methyl (2S)-1-[[(1R,3S)-1-(3,5-dimethoxy-4-oxidanyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]carbonyl]pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C26H29N3O6
MOLECULAR WEIGHT: 479.52496
SMILES: COC1=CC(=CC(=C1O)OC)[C@@H]2C3=C(C[C@H](N2)C(=O)N4CCC[C@H]4C(=O)OC)C5=CC=CC=C5N3
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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]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]propanoic 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]propanoate
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]propanoate
MOLECULAR FORMULA: C24H27N3O6
MOLECULAR WEIGHT: 453.48768
SMILES: C[C@@H](C(=O)OC)NC(=O)[C@@H]1CC2=C([C@H](N1)C3=CC(=C(C(=C3)OC)O)OC)NC4=CC=CC=C24
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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-methyl-butanoate
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-methylbutanoic 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-methylbutanoate
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-methyl-butanoate
MOLECULAR FORMULA: C26H31N3O6
MOLECULAR WEIGHT: 481.54084
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)[C@@H]1CC2=C([C@H](N1)C3=CC(=C(C(=C3)OC)O)OC)NC4=CC=CC=C24
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Product OPENEYE NAME: [(1R)-5-amino-1-[[2-[[2-(benzenesulfonyl)benzoyl]-methyl-amino]acetyl]amino]pentyl]boronic acid
CAS Name: [(1R)-5-amino-1-[[2-[[[2-(benzenesulfonyl)phenyl]-oxomethyl]-methylamino]-1-oxoethyl]amino]pentyl]boronic acid
IUPAC NAME: [(1R)-5-amino-1-[[2-[[2-(benzenesulfonyl)benzoyl]-methylamino]acetyl]amino]pentyl]boronic acid
SYSTEMATIC NAME: [(1R)-5-azanyl-1-[2-[methyl-[2-(phenylsulfonyl)phenyl]carbonyl-amino]ethanoylamino]pentyl]boronic acid
MOLECULAR FORMULA: C21H28BN3O6S
MOLECULAR WEIGHT: 461.33952
SMILES: B([C@H](CCCCN)NC(=O)CN(C)C(=O)C1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2)(O)O
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