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

Systemtic Name: S-[(6S)-6-(cyclohexyloxycarbonylamino)-7-(cyclopentylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-6-(cyclohexoxycarbonylamino)-7-(cyclopentylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-6-[[cyclohexyloxy(oxo)methyl]amino]-7-(cyclopentylamino)-7-oxoheptyl] ester IUPAC Name: S-[(6S)-6-(cyclohexyloxycarbonylamino)-7-(cyclopentylamino)-7-oxoheptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-6-(cyclohexoxycarbonylamino)-7-(cyclopentylamino)-7-keto-heptyl] ester Formula: C23H40N2O4S MolecularWeight: 440.6397

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCC(C(=O)NC1CCCC1)NC(=O)OC2CCCCC2

Isomeric SMILES

CC(C)C(=O)SCCCCC[C@@H](C(=O)NC1CCCC1)NC(=O)OC2CCCCC2

InChI

InChI=1S/C23H40N2O4S/c1-17(2)22(27)30-16-10-4-7-15-20(21(26)24-18-11-8-9-12-18)25-23(28)29-19-13-5-3-6-14-19/h17-20H,3-16H2,1-2H3,(H,24,26)(H,25,28)/t20-/m0/s1