2-azanyl-4-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]-3-oxidanylidene-2-(phenylmethyl)octanoic acid

Systemtic Name: 2-azanyl-4-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]-3-oxidanylidene-2-(phenylmethyl)octanoic acid Openeye Name: 2-amino-2-benzyl-4-(3-benzyl-5-methyl-2-oxo-1-pyridyl)-3-oxo-octanoic acid CAS Name: 2-amino-4-[5-methyl-2-oxo-3-(phenylmethyl)-1-pyridinyl]-3-oxo-2-(phenylmethyl)octanoic acid IUPAC Name: 2-amino-2-benzyl-4-(3-benzyl-5-methyl-2-oxopyridin-1-yl)-3-oxooctanoic acid Traditional Name: 2-amino-2-benzyl-4-(3-benzyl-2-keto-5-methyl-1-pyridyl)-3-keto-caprylic acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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