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

Systemtic Name: O1-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O6-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate Openeye Name: O1-[1-(2-amino-2-oxo-ethyl)tetradecyl] O6-benzyl 2-(tert-butoxycarbonylamino)hexanedioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanedioic acid O1-(1-amino-1-oxohexadecan-3-yl) ester O6-(phenylmethyl) ester IUPAC Name: 1-O-(1-amino-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)tetradecyl] ester O6-benzyl ester Formula: C34H56N2O7 MolecularWeight: 604.81764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H56N2O7/c1-5-6-7-8-9-10-11-12-13-14-18-22-28(25-30(35)37)42-32(39)29(36-33(40)43-34(2,3)4)23-19-24-31(38)41-26-27-20-16-15-17-21-27/h15-17,20-21,28-29H,5-14,18-19,22-26H2,1-4H3,(H2,35,37)(H,36,40)