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

Systemtic Name: S-[(6S)-6-acetamido-7-(cyclopentylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-6-acetamido-7-(cyclopentylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-6-acetamido-7-(cyclopentylamino)-7-oxoheptyl] ester IUPAC Name: S-[(6S)-6-acetamido-7-(cyclopentylamino)-7-oxoheptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-6-acetamido-7-(cyclopentylamino)-7-keto-heptyl] ester Formula: C18H32N2O3S MolecularWeight: 356.52328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2O3S/c1-13(2)18(23)24-12-8-4-5-11-16(19-14(3)21)17(22)20-15-9-6-7-10-15/h13,15-16H,4-12H2,1-3H3,(H,19,21)(H,20,22)/t16-/m0/s1