S-[(6S)-6-[(4-chlorophenyl)carbonylamino]-7-(cyclopentylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate

Systemtic Name: S-[(6S)-6-[(4-chlorophenyl)carbonylamino]-7-(cyclopentylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-6-[(4-chlorobenzoyl)amino]-7-(cyclopentylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-6-[[(4-chlorophenyl)-oxomethyl]amino]-7-(cyclopentylamino)-7-oxoheptyl] ester IUPAC Name: S-[(6S)-6-[(4-chlorobenzoyl)amino]-7-(cyclopentylamino)-7-oxoheptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-6-[(4-chlorobenzoyl)amino]-7-(cyclopentylamino)-7-keto-heptyl] ester Formula: C23H33ClN2O3S MolecularWeight: 453.03772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33ClN2O3S/c1-16(2)23(29)30-15-7-3-4-10-20(22(28)25-19-8-5-6-9-19)26-21(27)17-11-13-18(24)14-12-17/h11-14,16,19-20H,3-10,15H2,1-2H3,(H,25,28)(H,26,27)/t20-/m0/s1