2-[phenylmethoxycarbonylamino(propyl)amino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[phenylmethoxycarbonylamino(propyl)amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[benzyloxycarbonylamino(propyl)amino]-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[phenylmethoxycarbonylamino(propyl)amino]butanoic acid IUPAC Name: 2-[phenylmethoxycarbonylamino(propyl)amino]-4-sulfanylbutanoic acid Traditional Name: 2-[benzyloxycarbonylamino(propyl)amino]-4-mercapto-butyric acid Formula: C15H22N2O4S MolecularWeight: 326.41118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(CCS)C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCN(C(CCS)C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H22N2O4S/c1-2-9-17(13(8-10-22)14(18)19)16-15(20)21-11-12-6-4-3-5-7-12/h3-7,13,22H,2,8-11H2,1H3,(H,16,20)(H,18,19)