(2S)-2-azanyl-4-quinolin-8-ylsulfanyl-pentanedioic acid

Systemtic Name: (2S)-2-azanyl-4-quinolin-8-ylsulfanyl-pentanedioic acid Openeye Name: (2S)-2-amino-4-(8-quinolylsulfanyl)pentanedioic acid CAS Name: (2S)-2-amino-4-(8-quinolinylthio)pentanedioic acid IUPAC Name: (2S)-2-amino-4-quinolin-8-ylsulfanylpentanedioic acid Traditional Name: (2S)-2-amino-4-(8-quinolylthio)glutaric acid Formula: C14H14N2O4S MolecularWeight: 306.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC(CC(C(=O)O)N)C(=O)O)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC(C[C@@H](C(=O)O)N)C(=O)O)N=CC=C2

InChI

InChI=1S/C14H14N2O4S/c15-9(13(17)18)7-11(14(19)20)21-10-5-1-3-8-4-2-6-16-12(8)10/h1-6,9,11H,7,15H2,(H,17,18)(H,19,20)/t9-,11?/m0/s1