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

Systemtic Name: 3-[2-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]hexanoylamino]-3-(3-propan-2-yloxyphenyl)propanoic acid Openeye Name: 3-[2-(3-benzyl-5-methyl-2-oxo-1-pyridyl)hexanoylamino]-3-(3-isopropoxyphenyl)propanoic acid CAS Name: 3-[[2-[5-methyl-2-oxo-3-(phenylmethyl)-1-pyridinyl]-1-oxohexyl]amino]-3-(3-propan-2-yloxyphenyl)propanoic acid IUPAC Name: 3-[2-(3-benzyl-5-methyl-2-oxopyridin-1-yl)hexanoylamino]-3-(3-propan-2-yloxyphenyl)propanoic acid Traditional Name: 3-[2-(3-benzyl-2-keto-5-methyl-1-pyridyl)hexanoylamino]-3-(3-isopropoxyphenyl)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)OC(C)C)N2C=C(C=C(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

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