2-(phenylmethoxycarbonylamino)-5-sulfanyl-pentanoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-5-sulfanyl-pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-5-sulfanyl-pentanoic acid CAS Name: 5-mercapto-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-5-sulfanylpentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-5-mercapto-valeric acid Formula: C13H17NO4S MolecularWeight: 283.34338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c15-12(16)11(7-4-8-19)14-13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11,19H,4,7-9H2,(H,14,17)(H,15,16)