3-(2-oxidanylideneethylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(2-oxidanylideneethylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(2-oxoethylsulfanyl)propanoic acid CAS Name: 3-(2-oxoethylthio)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(2-oxoethylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(2-ketoethylthio)propionic acid Formula: C13H15NO5S MolecularWeight: 297.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSCC=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSCC=O)C(=O)O

InChI

InChI=1S/C13H15NO5S/c15-6-7-20-9-11(12(16)17)14-13(18)19-8-10-4-2-1-3-5-10/h1-6,11H,7-9H2,(H,14,18)(H,16,17)