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

Systemtic Name: S-[(6S)-6-(cyclohexyloxycarbonylamino)-7-(cyclopentylamino)-7-oxidanylidene-heptyl] ethanethioate Openeye Name: S-[(6S)-6-(cyclohexoxycarbonylamino)-7-(cyclopentylamino)-7-oxo-heptyl] ethanethioate CAS Name: ethanethioic acid S-[(6S)-6-[[cyclohexyloxy(oxo)methyl]amino]-7-(cyclopentylamino)-7-oxoheptyl] ester IUPAC Name: S-[(6S)-6-(cyclohexyloxycarbonylamino)-7-(cyclopentylamino)-7-oxoheptyl] ethanethioate Traditional Name: ethanethioic acid S-[(6S)-6-(cyclohexoxycarbonylamino)-7-(cyclopentylamino)-7-keto-heptyl] ester Formula: C21H36N2O4S MolecularWeight: 412.58654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O4S/c1-16(24)28-15-9-3-6-14-19(20(25)22-17-10-7-8-11-17)23-21(26)27-18-12-4-2-5-13-18/h17-19H,2-15H2,1H3,(H,22,25)(H,23,26)/t19-/m0/s1