2-[[2-(acetyloxymethyl)-3-ethanoylsulfanyl-propanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-(acetyloxymethyl)-3-ethanoylsulfanyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-(acetoxymethyl)-3-acetylsulfanyl-propanoyl]amino]pentanedioic acid CAS Name: 2-[[2-(acetyloxymethyl)-3-(acetylthio)-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-(acetyloxymethyl)-3-acetylsulfanylpropanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-(acetoxymethyl)-3-(acetylthio)propanoyl]amino]glutaric acid Formula: C13H19NO8S MolecularWeight: 349.35686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CSC(=O)C)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)OCC(CSC(=O)C)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H19NO8S/c1-7(15)22-5-9(6-23-8(2)16)12(19)14-10(13(20)21)3-4-11(17)18/h9-10H,3-6H2,1-2H3,(H,14,19)(H,17,18)(H,20,21)