3-[[1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[[1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[1-[(5-acetyl-2-methoxy-phenyl)methyl]-2-hydroxy-4-oxo-3-pyridyl]carbamoylamino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[[1-[(5-acetyl-2-methoxyphenyl)methyl]-2-hydroxy-4-oxo-3-pyridinyl]amino]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[1-[(5-acetyl-2-methoxyphenyl)methyl]-2-hydroxy-4-oxopyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[1-(5-acetyl-2-methoxy-benzyl)-2-hydroxy-4-keto-3-pyridyl]carbamoylamino]-3-(p-tolyl)propionic acid Formula: C26H27N3O7 MolecularWeight: 493.50848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(N(C=CC2=O)CC3=C(C=CC(=C3)C(=O)C)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(N(C=CC2=O)CC3=C(C=CC(=C3)C(=O)C)OC)O

InChI

InChI=1S/C26H27N3O7/c1-15-4-6-17(7-5-15)20(13-23(32)33)27-26(35)28-24-21(31)10-11-29(25(24)34)14-19-12-18(16(2)30)8-9-22(19)36-3/h4-12,20,34H,13-14H2,1-3H3,(H,32,33)(H2,27,28,35)