(3S)-3-oxidanyl-4-oxidanylidene-4-(quinolin-5-ylamino)butanoic acid

Systemtic Name: (3S)-3-oxidanyl-4-oxidanylidene-4-(quinolin-5-ylamino)butanoic acid Openeye Name: (3S)-3-hydroxy-4-oxo-4-(5-quinolylamino)butanoic acid CAS Name: (3S)-3-hydroxy-4-oxo-4-(5-quinolinylamino)butanoic acid IUPAC Name: (3S)-3-hydroxy-4-oxo-4-(quinolin-5-ylamino)butanoic acid Traditional Name: (3S)-3-hydroxy-4-keto-4-(5-quinolylamino)butyric acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C(CC(=O)O)O

Isomeric SMILES

C1=CC2=C(C=CC=N2)C(=C1)NC(=O)[C@H](CC(=O)O)O

InChI

InChI=1S/C13H12N2O4/c16-11(7-12(17)18)13(19)15-10-5-1-4-9-8(10)3-2-6-14-9/h1-6,11,16H,7H2,(H,15,19)(H,17,18)/t11-/m0/s1