3-[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]quinoxaline-2-carboxylic acid

Systemtic Name: 3-[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]quinoxaline-2-carboxylic acid Openeye Name: 3-[(3S)-3-amino-4-hydroxy-4-oxo-butyl]quinoxaline-2-carboxylic acid CAS Name: 3-[(3S)-3-amino-4-hydroxy-4-oxobutyl]-2-quinoxalinecarboxylic acid IUPAC Name: 3-[(3S)-3-amino-4-hydroxy-4-oxobutyl]quinoxaline-2-carboxylic acid Traditional Name: 3-[(3S)-3-amino-4-hydroxy-4-keto-butyl]quinoxaline-2-carboxylic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)C(=O)O)CCC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)C(=O)O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C13H13N3O4/c14-7(12(17)18)5-6-10-11(13(19)20)16-9-4-2-1-3-8(9)15-10/h1-4,7H,5-6,14H2,(H,17,18)(H,19,20)/t7-/m0/s1