S-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-pyrrolidin-1-yl-heptyl] 2-methylpropanethioate

Systemtic Name: S-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-pyrrolidin-1-yl-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-6-(tert-butoxycarbonylamino)-7-oxo-7-pyrrolidin-1-yl-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-7-(1-pyrrolidinyl)heptyl] ester IUPAC Name: S-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-7-pyrrolidin-1-ylheptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-6-(tert-butoxycarbonylamino)-7-keto-7-pyrrolidino-heptyl] ester Formula: C20H36N2O4S MolecularWeight: 400.57584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCC(C(=O)N1CCCC1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(=O)SCCCCC[C@@H](C(=O)N1CCCC1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H36N2O4S/c1-15(2)18(24)27-14-10-6-7-11-16(17(23)22-12-8-9-13-22)21-19(25)26-20(3,4)5/h15-16H,6-14H2,1-5H3,(H,21,25)/t16-/m0/s1