S-[(6S)-7-(cyclohexylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-heptyl] ethanethioate

Systemtic Name: S-[(6S)-7-(cyclohexylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-heptyl] ethanethioate Openeye Name: S-[(6S)-6-(tert-butoxycarbonylamino)-7-(cyclohexylamino)-7-oxo-heptyl] ethanethioate CAS Name: ethanethioic acid S-[(6S)-7-(cyclohexylamino)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxoheptyl] ester IUPAC Name: S-[(6S)-7-(cyclohexylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptyl] ethanethioate Traditional Name: ethanethioic acid S-[(6S)-6-(tert-butoxycarbonylamino)-7-(cyclohexylamino)-7-keto-heptyl] ester Formula: C20H36N2O4S MolecularWeight: 400.57584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCC(C(=O)NC1CCCCC1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCCCCC[C@@H](C(=O)NC1CCCCC1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H36N2O4S/c1-15(23)27-14-10-6-9-13-17(22-19(25)26-20(2,3)4)18(24)21-16-11-7-5-8-12-16/h16-17H,5-14H2,1-4H3,(H,21,24)(H,22,25)/t17-/m0/s1