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

Systemtic Name: S-[(6S)-6-benzamido-7-(cyclopentylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-6-benzamido-7-(cyclopentylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-6-benzamido-7-(cyclopentylamino)-7-oxoheptyl] ester IUPAC Name: S-[(6S)-6-benzamido-7-(cyclopentylamino)-7-oxoheptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-6-benzamido-7-(cyclopentylamino)-7-keto-heptyl] ester Formula: C23H34N2O3S MolecularWeight: 418.59266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCC(C(=O)NC1CCCC1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)SCCCCC[C@@H](C(=O)NC1CCCC1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H34N2O3S/c1-17(2)23(28)29-16-10-4-7-15-20(22(27)24-19-13-8-9-14-19)25-21(26)18-11-5-3-6-12-18/h3,5-6,11-12,17,19-20H,4,7-10,13-16H2,1-2H3,(H,24,27)(H,25,26)/t20-/m0/s1