2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]butanedioic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]butanedioic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)amino]butanedioic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)amino]butanedioic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]amino]succinic acid Formula: C10H15NO6S MolecularWeight: 277.2942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15NO6S/c1-5(4-18-6(2)12)9(15)11-7(10(16)17)3-8(13)14/h5,7H,3-4H2,1-2H3,(H,11,15)(H,13,14)(H,16,17)