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

Systemtic Name: (2S)-2-azaniumyl-3-(2-oxidanylidene-3-propan-2-yl-1H-quinolin-6-yl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(3-isopropyl-2-oxo-1H-quinolin-6-yl)propanoate CAS Name: (2S)-2-ammonio-3-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)propanoate Traditional Name: (2S)-2-ammonio-3-(3-isopropyl-2-keto-1H-quinolin-6-yl)propionate Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=CC(=C2)CC(C(=O)[O-])[NH3+])NC1=O

Isomeric SMILES

CC(C)C1=CC2=C(C=CC(=C2)C[C@@H](C(=O)[O-])[NH3+])NC1=O

InChI

InChI=1S/C15H18N2O3/c1-8(2)11-7-10-5-9(6-12(16)15(19)20)3-4-13(10)17-14(11)18/h3-5,7-8,12H,6,16H2,1-2H3,(H,17,18)(H,19,20)/t12-/m0/s1