2,4-bis(azanyl)-3-oxidanylidene-2-[phenylcarbonylsulfanyl(sulfanyl)methyl]pentanoic acid

Systemtic Name: 2,4-bis(azanyl)-3-oxidanylidene-2-[phenylcarbonylsulfanyl(sulfanyl)methyl]pentanoic acid Openeye Name: 2,4-diamino-2-[benzoylsulfanyl(sulfanyl)methyl]-3-oxo-pentanoic acid CAS Name: 2,4-diamino-2-[(benzoylthio)-mercaptomethyl]-3-oxopentanoic acid IUPAC Name: 2,4-diamino-2-[benzoylsulfanyl(sulfanyl)methyl]-3-oxopentanoic acid Traditional Name: 2,4-diamino-2-[(benzoylthio)-mercapto-methyl]-3-keto-valeric acid Formula: C13H16N2O4S2 MolecularWeight: 328.40714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C(S)SC(=O)C1=CC=CC=C1)(C(=O)O)N)N

Isomeric SMILES

CC(C(=O)C(C(S)SC(=O)C1=CC=CC=C1)(C(=O)O)N)N

InChI

InChI=1S/C13H16N2O4S2/c1-7(14)9(16)13(15,11(18)19)12(20)21-10(17)8-5-3-2-4-6-8/h2-7,12,20H,14-15H2,1H3,(H,18,19)