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

Systemtic Name: S-[(6S)-7-(cyclopentylamino)-7-oxidanylidene-6-(phenoxycarbonylamino)heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-7-(cyclopentylamino)-7-oxo-6-(phenoxycarbonylamino)heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-7-(cyclopentylamino)-7-oxo-6-[[oxo(phenoxy)methyl]amino]heptyl] ester IUPAC Name: S-[(6S)-7-(cyclopentylamino)-7-oxo-6-(phenoxycarbonylamino)heptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-6-(carbophenoxyamino)-7-(cyclopentylamino)-7-keto-heptyl] ester Formula: C23H34N2O4S MolecularWeight: 434.59206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCC(C(=O)NC1CCCC1)NC(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)SCCCCC[C@@H](C(=O)NC1CCCC1)NC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C23H34N2O4S/c1-17(2)22(27)30-16-10-4-7-15-20(21(26)24-18-11-8-9-12-18)25-23(28)29-19-13-5-3-6-14-19/h3,5-6,13-14,17-18,20H,4,7-12,15-16H2,1-2H3,(H,24,26)(H,25,28)/t20-/m0/s1