S-[(6S)-7-(cyclopentylamino)-7-oxidanylidene-6-(phenylmethoxycarbonylamino)heptyl] 2-methylpropanethioate

Systemtic Name: S-[(6S)-7-(cyclopentylamino)-7-oxidanylidene-6-(phenylmethoxycarbonylamino)heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-6-(benzyloxycarbonylamino)-7-(cyclopentylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-7-(cyclopentylamino)-7-oxo-6-(phenylmethoxycarbonylamino)heptyl] ester IUPAC Name: S-[(6S)-7-(cyclopentylamino)-7-oxo-6-(phenylmethoxycarbonylamino)heptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-6-(benzyloxycarbonylamino)-7-(cyclopentylamino)-7-keto-heptyl] ester Formula: C24H36N2O4S MolecularWeight: 448.61864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O4S/c1-18(2)23(28)31-16-10-4-7-15-21(22(27)25-20-13-8-9-14-20)26-24(29)30-17-19-11-5-3-6-12-19/h3,5-6,11-12,18,20-21H,4,7-10,13-17H2,1-2H3,(H,25,27)(H,26,29)/t21-/m0/s1