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

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(2-phenylphenyl)carbonylamino]hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-[(2-phenylbenzoyl)amino]hexanedioate CAS Name: 2-[[oxo-(2-phenylphenyl)methyl]amino]hexanedioic acid O6-(1-amino-1-oxohexadecan-3-yl) ester O1-(phenylmethyl) ester IUPAC Name: 6-O-(1-amino-1-oxohexadecan-3-yl) 1-O-benzyl 2-[(2-phenylbenzoyl)amino]hexanedioate Traditional Name: 2-[(2-phenylbenzoyl)amino]adipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C42H56N2O6 MolecularWeight: 684.90384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C42H56N2O6/c1-2-3-4-5-6-7-8-9-10-11-18-26-35(31-39(43)45)50-40(46)30-21-29-38(42(48)49-32-33-22-14-12-15-23-33)44-41(47)37-28-20-19-27-36(37)34-24-16-13-17-25-34/h12-17,19-20,22-25,27-28,35,38H,2-11,18,21,26,29-32H2,1H3,(H2,43,45)(H,44,47)