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

Systemtic Name: 3-(3-ethoxyphenyl)-3-[2-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]hexanoylamino]propanoic acid Openeye Name: 3-[2-(3-benzyl-5-methyl-2-oxo-1-pyridyl)hexanoylamino]-3-(3-ethoxyphenyl)propanoic acid CAS Name: 3-(3-ethoxyphenyl)-3-[[2-[5-methyl-2-oxo-3-(phenylmethyl)-1-pyridinyl]-1-oxohexyl]amino]propanoic acid IUPAC Name: 3-[2-(3-benzyl-5-methyl-2-oxopyridin-1-yl)hexanoylamino]-3-(3-ethoxyphenyl)propanoic acid Traditional Name: 3-[2-(3-benzyl-2-keto-5-methyl-1-pyridyl)hexanoylamino]-3-m-phenetyl-propionic acid Formula: C30H36N2O5 MolecularWeight: 504.61724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2O5/c1-4-6-15-27(32-20-21(3)16-24(30(32)36)17-22-11-8-7-9-12-22)29(35)31-26(19-28(33)34)23-13-10-14-25(18-23)37-5-2/h7-14,16,18,20,26-27H,4-6,15,17,19H2,1-3H3,(H,31,35)(H,33,34)