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

Systemtic Name: S-[(6S)-7-(cycloheptylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-6-(tert-butoxycarbonylamino)-7-(cycloheptylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic 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] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-6-(tert-butoxycarbonylamino)-7-(cycloheptylamino)-7-keto-heptyl] ester Formula: C23H42N2O4S MolecularWeight: 442.65558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42N2O4S/c1-17(2)21(27)30-16-12-8-11-15-19(25-22(28)29-23(3,4)5)20(26)24-18-13-9-6-7-10-14-18/h17-19H,6-16H2,1-5H3,(H,24,26)(H,25,28)/t19-/m0/s1