(2S)-2-[deuterio(ethanoyl)amino]-2-methyl-3-(4-methyl-2-oxidanylidene-1H-quinolin-6-yl)propanoic acid

Systemtic Name: (2S)-2-[deuterio(ethanoyl)amino]-2-methyl-3-(4-methyl-2-oxidanylidene-1H-quinolin-6-yl)propanoic acid Openeye Name: (2S)-2-[acetyl(deuterio)amino]-2-methyl-3-(4-methyl-2-oxo-1H-quinolin-6-yl)propanoic acid CAS Name: (2S)-2-[acetyl(deuterio)amino]-2-methyl-3-(4-methyl-2-oxo-1H-quinolin-6-yl)propanoic acid IUPAC Name: (2S)-2-[acetyl(deuterio)amino]-2-methyl-3-(4-methyl-2-oxo-1H-quinolin-6-yl)propanoic acid Traditional Name: (2S)-2-[acetyl(deuterio)amino]-3-(2-keto-4-methyl-1H-quinolin-6-yl)-2-methyl-propionic acid Formula: C16H18N2O4 MolecularWeight: 303.331282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC2=C1C=C(C=C2)CC(C)(C(=O)O)NC(=O)C

Isomeric SMILES

[2H]N(C(=O)C)[C@@](C)(CC1=CC2=C(C=C1)NC(=O)C=C2C)C(=O)O

InChI

InChI=1S/C16H18N2O4/c1-9-6-14(20)17-13-5-4-11(7-12(9)13)8-16(3,15(21)22)18-10(2)19/h4-7H,8H2,1-3H3,(H,17,20)(H,18,19)(H,21,22)/t16-/m0/s1/i/hD