[(3S,6S)-1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-azepan-3-yl] tetradecanoate

Systemtic Name: [(3S,6S)-1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-azepan-3-yl] tetradecanoate Openeye Name: [(3S,6S)-6-(tert-butoxycarbonylamino)-1-methyl-7-oxo-azepan-3-yl] tetradecanoate CAS Name: tetradecanoic acid [(3S,6S)-1-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-3-azepanyl] ester IUPAC Name: [(3S,6S)-1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoazepan-3-yl] tetradecanoate Traditional Name: myristic acid [(3S,6S)-6-(tert-butoxycarbonylamino)-7-keto-1-methyl-azepan-3-yl] ester Formula: C26H48N2O5 MolecularWeight: 468.66972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1CCC(C(=O)N(C1)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@H](C(=O)N(C1)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H48N2O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-23(29)32-21-18-19-22(24(30)28(5)20-21)27-25(31)33-26(2,3)4/h21-22H,6-20H2,1-5H3,(H,27,31)/t21-,22-/m0/s1