(2S)-2-(deuterioamino)-3-(4-methyl-2-oxidanylidene-1H-quinolin-6-yl)propanoic acid

Systemtic Name: (2S)-2-(deuterioamino)-3-(4-methyl-2-oxidanylidene-1H-quinolin-6-yl)propanoic acid Openeye Name: (2S)-2-(deuterioamino)-3-(4-methyl-2-oxo-1H-quinolin-6-yl)propanoic acid CAS Name: (2S)-2-(deuterioamino)-3-(4-methyl-2-oxo-1H-quinolin-6-yl)propanoic acid IUPAC Name: (2S)-2-(deuterioamino)-3-(4-methyl-2-oxo-1H-quinolin-6-yl)propanoic acid Traditional Name: (2S)-2-(deuterioamino)-3-(2-keto-4-methyl-1H-quinolin-6-yl)propionic acid Formula: C13H14N2O3 MolecularWeight: 247.268022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-7-4-12(16)15-11-3-2-8(5-9(7)11)6-10(14)13(17)18/h2-5,10H,6,14H2,1H3,(H,15,16)(H,17,18)/t10-/m0/s1/i/hD