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

Systemtic Name: S-[(6S)-6-azanyl-7-(cyclopentylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate hydrochloride Openeye Name: S-[(6S)-6-amino-7-(cyclopentylamino)-7-oxo-heptyl] 2-methylpropanethioate hydrochloride CAS Name: 2-methylpropanethioic acid S-[(6S)-6-amino-7-(cyclopentylamino)-7-oxoheptyl] ester hydrochloride IUPAC Name: S-[(6S)-6-amino-7-(cyclopentylamino)-7-oxoheptyl] 2-methylpropanethioate hydrochloride Traditional Name: 2-methylpropanethioic acid S-[(6S)-6-amino-7-(cyclopentylamino)-7-keto-heptyl] ester hydrochloride Formula: C16H31ClN2O2S MolecularWeight: 350.94754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCC(C(=O)NC1CCCC1)N.Cl

Isomeric SMILES

CC(C)C(=O)SCCCCC[C@@H](C(=O)NC1CCCC1)N.Cl

InChI

InChI=1S/C16H30N2O2S.ClH/c1-12(2)16(20)21-11-7-3-4-10-14(17)15(19)18-13-8-5-6-9-13;/h12-14H,3-11,17H2,1-2H3,(H,18,19);1H/t14-;/m0./s1