S-[(6S)-7-(cyclopentylamino)-7-oxidanylidene-6-(phenylmethoxycarbonylamino)heptyl] ethanethioate

Systemtic Name: S-[(6S)-7-(cyclopentylamino)-7-oxidanylidene-6-(phenylmethoxycarbonylamino)heptyl] ethanethioate Openeye Name: S-[(6S)-6-(benzyloxycarbonylamino)-7-(cyclopentylamino)-7-oxo-heptyl] ethanethioate CAS Name: ethanethioic acid S-[(6S)-7-(cyclopentylamino)-7-oxo-6-(phenylmethoxycarbonylamino)heptyl] ester IUPAC Name: S-[(6S)-7-(cyclopentylamino)-7-oxo-6-(phenylmethoxycarbonylamino)heptyl] ethanethioate Traditional Name: ethanethioic acid S-[(6S)-6-(benzyloxycarbonylamino)-7-(cyclopentylamino)-7-keto-heptyl] ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCC(C(=O)NC1CCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCCCCC[C@@H](C(=O)NC1CCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H32N2O4S/c1-17(25)29-15-9-3-6-14-20(21(26)23-19-12-7-8-13-19)24-22(27)28-16-18-10-4-2-5-11-18/h2,4-5,10-11,19-20H,3,6-9,12-16H2,1H3,(H,23,26)(H,24,27)/t20-/m0/s1