O1-[1-(methylamino)-1-oxidanylidene-hexadecan-3-yl] O6-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate

Systemtic Name: O1-[1-(methylamino)-1-oxidanylidene-hexadecan-3-yl] O6-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate Openeye Name: O6-benzyl O1-[1-[2-(methylamino)-2-oxo-ethyl]tetradecyl] 2-(tert-butoxycarbonylamino)hexanedioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanedioic acid O1-[1-(methylamino)-1-oxohexadecan-3-yl] ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-[1-(methylamino)-1-oxohexadecan-3-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate Traditional Name: 2-(tert-butoxycarbonylamino)adipic acid O6-benzyl ester O1-[1-[2-keto-2-(methylamino)ethyl]tetradecyl] ester Formula: C35H58N2O7 MolecularWeight: 618.84422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)NC)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)NC)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C35H58N2O7/c1-6-7-8-9-10-11-12-13-14-15-19-23-29(26-31(38)36-5)43-33(40)30(37-34(41)44-35(2,3)4)24-20-25-32(39)42-27-28-21-17-16-18-22-28/h16-18,21-22,29-30H,6-15,19-20,23-27H2,1-5H3,(H,36,38)(H,37,41)