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

Systemtic Name: S-[(6S)-7-(cycloheptylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-heptyl] ethanethioate Openeye Name: S-[(6S)-6-(tert-butoxycarbonylamino)-7-(cycloheptylamino)-7-oxo-heptyl] ethanethioate CAS Name: ethanethioic acid S-[(6S)-7-(cycloheptylamino)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxoheptyl] ester IUPAC Name: S-[(6S)-7-(cycloheptylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptyl] ethanethioate Traditional Name: ethanethioic acid S-[(6S)-6-(tert-butoxycarbonylamino)-7-(cycloheptylamino)-7-keto-heptyl] ester Formula: C21H38N2O4S MolecularWeight: 414.60242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCC(C(=O)NC1CCCCCC1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCCCCC[C@@H](C(=O)NC1CCCCCC1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H38N2O4S/c1-16(24)28-15-11-7-10-14-18(23-20(26)27-21(2,3)4)19(25)22-17-12-8-5-6-9-13-17/h17-18H,5-15H2,1-4H3,(H,22,25)(H,23,26)/t18-/m0/s1