(2S)-2-azaniumyl-3-(6-oxidanylidene-1-propan-2-yl-pyridin-3-yl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(6-oxidanylidene-1-propan-2-yl-pyridin-3-yl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(1-isopropyl-6-oxo-3-pyridyl)propanoate CAS Name: (2S)-2-ammonio-3-(6-oxo-1-propan-2-yl-3-pyridinyl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(6-oxo-1-propan-2-ylpyridin-3-yl)propanoate Traditional Name: (2S)-2-ammonio-3-(1-isopropyl-6-keto-3-pyridyl)propionate Formula: C11H16N2O3 MolecularWeight: 224.25634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=CC1=O)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)N1C=C(C=CC1=O)C[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H16N2O3/c1-7(2)13-6-8(3-4-10(13)14)5-9(12)11(15)16/h3-4,6-7,9H,5,12H2,1-2H3,(H,15,16)/t9-/m0/s1