S-[2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethyl] propanethioate

Systemtic Name: S-[2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethyl] propanethioate Openeye Name: S-[2-[3-(benzyloxycarbonylamino)propanoylamino]ethyl] propanethioate CAS Name: propanethioic acid S-[2-[[1-oxo-3-(phenylmethoxycarbonylamino)propyl]amino]ethyl] ester IUPAC Name: S-[2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethyl] propanethioate Traditional Name: propanethioic acid S-[2-[3-(benzyloxycarbonylamino)propanoylamino]ethyl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCCNC(=O)CCNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(=O)SCCNC(=O)CCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O4S/c1-2-15(20)23-11-10-17-14(19)8-9-18-16(21)22-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,19)(H,18,21)