S-[(6S)-7-(cyclopentylamino)-6-(3,3-dimethylbutanoylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate

Systemtic Name: S-[(6S)-7-(cyclopentylamino)-6-(3,3-dimethylbutanoylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-7-(cyclopentylamino)-6-(3,3-dimethylbutanoylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-7-(cyclopentylamino)-6-[(3,3-dimethyl-1-oxobutyl)amino]-7-oxoheptyl] ester IUPAC Name: S-[(6S)-7-(cyclopentylamino)-6-(3,3-dimethylbutanoylamino)-7-oxoheptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-7-(cyclopentylamino)-6-(3,3-dimethylbutanoylamino)-7-keto-heptyl] ester Formula: C22H40N2O3S MolecularWeight: 412.6296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H40N2O3S/c1-16(2)21(27)28-14-10-6-7-13-18(24-19(25)15-22(3,4)5)20(26)23-17-11-8-9-12-17/h16-18H,6-15H2,1-5H3,(H,23,26)(H,24,25)/t18-/m0/s1