4,4-bis(methylsulfanyl)-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4,4-bis(methylsulfanyl)-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-4,4-bis(methylsulfanyl)butanoic acid CAS Name: 4,4-bis(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4,4-bis(methylsulfanyl)-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-4,4-bis(methylthio)butyric acid Formula: C14H19NO4S2 MolecularWeight: 329.43496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(CC(C(=O)O)NC(=O)OCC1=CC=CC=C1)SC

Isomeric SMILES

CSC(CC(C(=O)O)NC(=O)OCC1=CC=CC=C1)SC

InChI

InChI=1S/C14H19NO4S2/c1-20-12(21-2)8-11(13(16)17)15-14(18)19-9-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,15,18)(H,16,17)