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

Systemtic Name: 2-[2-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]hexanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-(3-benzyl-5-methyl-2-oxo-1-pyridyl)hexanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[5-methyl-2-oxo-3-(phenylmethyl)-1-pyridinyl]-1-oxohexyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-(3-benzyl-5-methyl-2-oxopyridin-1-yl)hexanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[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(CC1=CC=CC=C1)C(=O)O)N2C=C(C=C(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N2C=C(C=C(C2=O)CC3=CC=CC=C3)C

InChI

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