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

Systemtic Name: S-[(6S)-7-(2-hydroxyethylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-6-(tert-butoxycarbonylamino)-7-(2-hydroxyethylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-7-(2-hydroxyethylamino)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxoheptyl] ester IUPAC Name: S-[(6S)-7-(2-hydroxyethylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-6-(tert-butoxycarbonylamino)-7-(2-hydroxyethylamino)-7-keto-heptyl] ester Formula: C18H34N2O5S MolecularWeight: 390.53796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34N2O5S/c1-13(2)16(23)26-12-8-6-7-9-14(15(22)19-10-11-21)20-17(24)25-18(3,4)5/h13-14,21H,6-12H2,1-5H3,(H,19,22)(H,20,24)/t14-/m0/s1