5-(ethanethioylamino)-4-[1-(2-oxidanylidenepropylsulfanyl)ethylideneamino]pentanoic acid

Systemtic Name: 5-(ethanethioylamino)-4-[1-(2-oxidanylidenepropylsulfanyl)ethylideneamino]pentanoic acid Openeye Name: 4-(1-acetonylsulfanylethylideneamino)-5-(ethanethioylamino)pentanoic acid CAS Name: 4-[1-(2-oxopropylthio)ethylideneamino]-5-(1-sulfanylideneethylamino)pentanoic acid IUPAC Name: 5-(ethanethioylamino)-4-[1-(2-oxopropylsulfanyl)ethylideneamino]pentanoic acid Traditional Name: 4-[1-(acetonylthio)ethylideneamino]-5-(thioacetylamino)valeric acid Formula: C12H20N2O3S2 MolecularWeight: 304.4288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC(=NC(CCC(=O)O)CNC(=S)C)C

Isomeric SMILES

CC(=O)CSC(=NC(CCC(=O)O)CNC(=S)C)C

InChI

InChI=1S/C12H20N2O3S2/c1-8(15)7-19-10(3)14-11(4-5-12(16)17)6-13-9(2)18/h11H,4-7H2,1-3H3,(H,13,18)(H,16,17)