O7-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanedioate

Systemtic Name: O7-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanedioate Openeye Name: O7-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-(tert-butoxycarbonylamino)heptanedioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]heptanedioic acid O7-(1-amino-1-oxohexadecan-3-yl) ester O1-(phenylmethyl) ester IUPAC Name: 7-O-(1-amino-1-oxohexadecan-3-yl) 1-O-benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanedioate Traditional Name: 2-(tert-butoxycarbonylamino)pimelic acid O7-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C35H58N2O7 MolecularWeight: 618.84422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H58N2O7/c1-5-6-7-8-9-10-11-12-13-14-18-23-29(26-31(36)38)43-32(39)25-20-19-24-30(37-34(41)44-35(2,3)4)33(40)42-27-28-21-16-15-17-22-28/h15-17,21-22,29-30H,5-14,18-20,23-27H2,1-4H3,(H2,36,38)(H,37,41)