O1-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O6-(phenylmethyl) 2-[[methyl(pyridin-2-yl)carbamoyl]amino]hexanedioate

Systemtic Name: O1-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O6-(phenylmethyl) 2-[[methyl(pyridin-2-yl)carbamoyl]amino]hexanedioate Openeye Name: O1-[1-(2-amino-2-oxo-ethyl)tetradecyl] O6-benzyl 2-[[methyl(2-pyridyl)carbamoyl]amino]hexanedioate CAS Name: 2-[[[methyl(2-pyridinyl)amino]-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-[[methyl(pyridin-2-yl)carbamoyl]amino]hexanedioate Traditional Name: 2-[[methyl(2-pyridyl)carbamoyl]amino]adipic acid O1-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O6-benzyl ester Formula: C36H54N4O6 MolecularWeight: 638.83716

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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)N(C)C2=CC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)N(C)C2=CC=CC=N2

InChI

InChI=1S/C36H54N4O6/c1-3-4-5-6-7-8-9-10-11-12-16-22-30(27-32(37)41)46-35(43)31(39-36(44)40(2)33-24-17-18-26-38-33)23-19-25-34(42)45-28-29-20-14-13-15-21-29/h13-15,17-18,20-21,24,26,30-31H,3-12,16,19,22-23,25,27-28H2,1-2H3,(H2,37,41)(H,39,44)