(2S)-3-methyl-2-(2-pyridin-4-ylethanoylamino)butanoate

Systemtic Name: (2S)-3-methyl-2-(2-pyridin-4-ylethanoylamino)butanoate Openeye Name: (2S)-3-methyl-2-[[2-(4-pyridyl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-pyridin-4-ylethyl)amino]butanoate IUPAC Name: (2S)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(4-pyridyl)acetyl]amino]butyrate Formula: C12H15N2O3- MolecularWeight: 235.2591

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)CC1=CC=NC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)CC1=CC=NC=C1

InChI

InChI=1S/C12H16N2O3/c1-8(2)11(12(16)17)14-10(15)7-9-3-5-13-6-4-9/h3-6,8,11H,7H2,1-2H3,(H,14,15)(H,16,17)/p-1/t11-/m0/s1