3-methyl-2-[3-(2-oxidanylidenepyridin-1-yl)propanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[3-(2-oxidanylidenepyridin-1-yl)propanoylamino]butanoic acid Openeye Name: 3-methyl-2-[3-(2-oxo-1-pyridyl)propanoylamino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-3-(2-oxo-1-pyridinyl)propyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[3-(2-oxopyridin-1-yl)propanoylamino]butanoic acid Traditional Name: 2-[3-(2-keto-1-pyridyl)propanoylamino]-3-methyl-butyric acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCN1C=CC=CC1=O

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CCN1C=CC=CC1=O

InChI

InChI=1S/C13H18N2O4/c1-9(2)12(13(18)19)14-10(16)6-8-15-7-4-3-5-11(15)17/h3-5,7,9,12H,6,8H2,1-2H3,(H,14,16)(H,18,19)