O1-(1-azanyl-15-methyl-1-oxidanylidene-hexadecan-3-yl) O6-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate

Systemtic Name: O1-(1-azanyl-15-methyl-1-oxidanylidene-hexadecan-3-yl) O6-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate Openeye Name: O1-[1-(2-amino-2-oxo-ethyl)-13-methyl-tetradecyl] O6-benzyl 2-(tert-butoxycarbonylamino)hexanedioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanedioic acid O1-(1-amino-15-methyl-1-oxohexadecan-3-yl) ester O6-(phenylmethyl) ester IUPAC Name: 1-O-(1-amino-15-methyl-1-oxohexadecan-3-yl) 6-O-benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate Traditional Name: 2-(tert-butoxycarbonylamino)adipic acid O1-[1-(2-amino-2-keto-ethyl)-13-methyl-tetradecyl] ester O6-benzyl ester Formula: C35H58N2O7 MolecularWeight: 618.84422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C35H58N2O7/c1-27(2)19-14-11-9-7-6-8-10-12-17-22-29(25-31(36)38)43-33(40)30(37-34(41)44-35(3,4)5)23-18-24-32(39)42-26-28-20-15-13-16-21-28/h13,15-16,20-21,27,29-30H,6-12,14,17-19,22-26H2,1-5H3,(H2,36,38)(H,37,41)