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

Systemtic Name: S-[(6S)-7-(cyclopentylamino)-6-(2-oxidanylethanoylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-7-(cyclopentylamino)-6-[(2-hydroxyacetyl)amino]-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-7-(cyclopentylamino)-6-[(2-hydroxy-1-oxoethyl)amino]-7-oxoheptyl] ester IUPAC Name: S-[(6S)-7-(cyclopentylamino)-6-[(2-hydroxyacetyl)amino]-7-oxoheptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-7-(cyclopentylamino)-6-(glycoloylamino)-7-keto-heptyl] ester Formula: C18H32N2O4S MolecularWeight: 372.52268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2O4S/c1-13(2)18(24)25-11-7-3-4-10-15(20-16(22)12-21)17(23)19-14-8-5-6-9-14/h13-15,21H,3-12H2,1-2H3,(H,19,23)(H,20,22)/t15-/m0/s1