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

Systemtic Name: S-[(6S)-7-(cyclopentylamino)-6-(2-oxidanylethanoylamino)-7-oxidanylidene-heptyl] ethanethioate Openeye Name: S-[(6S)-7-(cyclopentylamino)-6-[(2-hydroxyacetyl)amino]-7-oxo-heptyl] ethanethioate CAS Name: ethanethioic 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] ethanethioate Traditional Name: ethanethioic acid S-[(6S)-7-(cyclopentylamino)-6-(glycoloylamino)-7-keto-heptyl] ester Formula: C16H28N2O4S MolecularWeight: 344.46952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O4S/c1-12(20)23-10-6-2-3-9-14(18-15(21)11-19)16(22)17-13-7-4-5-8-13/h13-14,19H,2-11H2,1H3,(H,17,22)(H,18,21)/t14-/m0/s1