3-[2-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]hexanoylamino]-3-(3-propoxyphenyl)propanoic acid

Systemtic Name: 3-[2-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]hexanoylamino]-3-(3-propoxyphenyl)propanoic acid Openeye Name: 3-[2-(3-benzyl-5-methyl-2-oxo-1-pyridyl)hexanoylamino]-3-(3-propoxyphenyl)propanoic acid CAS Name: 3-[[2-[5-methyl-2-oxo-3-(phenylmethyl)-1-pyridinyl]-1-oxohexyl]amino]-3-(3-propoxyphenyl)propanoic acid IUPAC Name: 3-[2-(3-benzyl-5-methyl-2-oxopyridin-1-yl)hexanoylamino]-3-(3-propoxyphenyl)propanoic acid Traditional Name: 3-[2-(3-benzyl-2-keto-5-methyl-1-pyridyl)hexanoylamino]-3-(3-propoxyphenyl)propionic acid Formula: C31H38N2O5 MolecularWeight: 518.64382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(=O)O)C1=CC(=CC=C1)OCCC)N2C=C(C=C(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCC(C(=O)NC(CC(=O)O)C1=CC(=CC=C1)OCCC)N2C=C(C=C(C2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C31H38N2O5/c1-4-6-15-28(33-21-22(3)17-25(31(33)37)18-23-11-8-7-9-12-23)30(36)32-27(20-29(34)35)24-13-10-14-26(19-24)38-16-5-2/h7-14,17,19,21,27-28H,4-6,15-16,18,20H2,1-3H3,(H,32,36)(H,34,35)