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

Systemtic Name: 3-[2-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]hexanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[2-(3-benzyl-5-methyl-2-oxo-1-pyridyl)hexanoylamino]-3-phenyl-propanoic acid CAS Name: 3-[[2-[5-methyl-2-oxo-3-(phenylmethyl)-1-pyridinyl]-1-oxohexyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[2-(3-benzyl-5-methyl-2-oxopyridin-1-yl)hexanoylamino]-3-phenylpropanoic acid Traditional Name: 3-[2-(3-benzyl-2-keto-5-methyl-1-pyridyl)hexanoylamino]-3-phenyl-propionic acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O4/c1-3-4-15-25(27(33)29-24(18-26(31)32)22-13-9-6-10-14-22)30-19-20(2)16-23(28(30)34)17-21-11-7-5-8-12-21/h5-14,16,19,24-25H,3-4,15,17-18H2,1-2H3,(H,29,33)(H,31,32)