3-[[1-[(2-chloranyl-6-methyl-phenyl)methyl]-2-oxidanyl-4-oxidanylidene-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]carbamoylamino]-3-[3-[methyl(methylsulfonyl)amino]phenyl]propanoic acid

Systemtic Name: 3-[[1-[(2-chloranyl-6-methyl-phenyl)methyl]-2-oxidanyl-4-oxidanylidene-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]carbamoylamino]-3-[3-[methyl(methylsulfonyl)amino]phenyl]propanoic acid Openeye Name: 3-[[1-[(2-chloro-6-methyl-phenyl)methyl]-2-hydroxy-4-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]carbamoylamino]-3-[3-[methyl(methylsulfonyl)amino]phenyl]propanoic acid CAS Name: 3-[[[[1-[(2-chloro-6-methylphenyl)methyl]-2-hydroxy-4-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]amino]-oxomethyl]amino]-3-[3-[methyl(methylsulfonyl)amino]phenyl]propanoic acid IUPAC Name: 3-[[1-[(2-chloro-6-methylphenyl)methyl]-2-hydroxy-4-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]carbamoylamino]-3-[3-[methyl(methylsulfonyl)amino]phenyl]propanoic acid Traditional Name: 3-[[1-(2-chloro-6-methyl-benzyl)-2-hydroxy-4-keto-6,7-dihydro-5H-1-pyrindin-3-yl]carbamoylamino]-3-[3-[mesyl(methyl)amino]phenyl]propionic acid Formula: C28H31ClN4O7S MolecularWeight: 603.08634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)CN2C3=C(CCC3)C(=O)C(=C2O)NC(=O)NC(CC(=O)O)C4=CC(=CC=C4)N(C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)CN2C3=C(CCC3)C(=O)C(=C2O)NC(=O)NC(CC(=O)O)C4=CC(=CC=C4)N(C)S(=O)(=O)C

InChI

InChI=1S/C28H31ClN4O7S/c1-16-7-4-11-21(29)20(16)15-33-23-12-6-10-19(23)26(36)25(27(33)37)31-28(38)30-22(14-24(34)35)17-8-5-9-18(13-17)32(2)41(3,39)40/h4-5,7-9,11,13,22,37H,6,10,12,14-15H2,1-3H3,(H,34,35)(H2,30,31,38)