3-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-4,5-bis(oxidanyl)phenyl]-2-(2-carboxyethylamino)propanoic acid

Systemtic Name: 3-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-4,5-bis(oxidanyl)phenyl]-2-(2-carboxyethylamino)propanoic acid Openeye Name: 3-[3-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-4,5-dihydroxy-phenyl]-2-(2-carboxyethylamino)propanoic acid CAS Name: 3-[3-[(2-amino-3-hydroxy-3-oxopropyl)thio]-4,5-dihydroxyphenyl]-2-(2-carboxyethylamino)propanoic acid IUPAC Name: 3-[3-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-4,5-dihydroxyphenyl]-2-(2-carboxyethylamino)propanoic acid Traditional Name: 3-[3-[(2-amino-3-hydroxy-3-keto-propyl)thio]-4,5-dihydroxy-phenyl]-2-(2-carboxyethylamino)propionic acid Formula: C15H20N2O8S MolecularWeight: 388.3929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)SCC(C(=O)O)N)CC(C(=O)O)NCCC(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1O)O)SCC(C(=O)O)N)CC(C(=O)O)NCCC(=O)O

InChI

InChI=1S/C15H20N2O8S/c16-8(14(22)23)6-26-11-5-7(4-10(18)13(11)21)3-9(15(24)25)17-2-1-12(19)20/h4-5,8-9,17-18,21H,1-3,6,16H2,(H,19,20)(H,22,23)(H,24,25)