1-[2-[phenylmethoxycarbonylamino(propyl)amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[phenylmethoxycarbonylamino(propyl)amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[benzyloxycarbonylamino(propyl)amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-mercapto-1-oxo-2-[phenylmethoxycarbonylamino(propyl)amino]propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[phenylmethoxycarbonylamino(propyl)amino]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[benzyloxycarbonylamino(propyl)amino]-3-mercapto-propanoyl]proline Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(CS)C(=O)N1CCCC1C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCN(C(CS)C(=O)N1CCCC1C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H27N3O5S/c1-2-10-22(20-19(26)27-12-14-7-4-3-5-8-14)16(13-28)17(23)21-11-6-9-15(21)18(24)25/h3-5,7-8,15-16,28H,2,6,9-13H2,1H3,(H,20,26)(H,24,25)