5-azanyl-5-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]pentanoic acid

Systemtic Name: 5-azanyl-5-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]pentanoic acid Openeye Name: 5-amino-5-oxo-2-[[2-(2-thienylmethylsulfanyl)acetyl]amino]pentanoic acid CAS Name: 5-amino-5-oxo-2-[[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]amino]pentanoic acid IUPAC Name: 5-amino-5-oxo-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]pentanoic acid Traditional Name: 5-amino-5-keto-2-[[2-(2-thenylthio)acetyl]amino]valeric acid Formula: C12H16N2O4S2 MolecularWeight: 316.39644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CSCC(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CSCC(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C12H16N2O4S2/c13-10(15)4-3-9(12(17)18)14-11(16)7-19-6-8-2-1-5-20-8/h1-2,5,9H,3-4,6-7H2,(H2,13,15)(H,14,16)(H,17,18)