O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(6-methylpyridin-2-yl)carbonylamino]hexanedioate

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(6-methylpyridin-2-yl)carbonylamino]hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-[(6-methylpyridine-2-carbonyl)amino]hexanedioate CAS Name: 2-[[(6-methyl-2-pyridinyl)-oxomethyl]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-[(6-methylpyridine-2-carbonyl)amino]hexanedioate Traditional Name: 2-[(6-methylpicolinoyl)amino]adipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C36H53N3O6 MolecularWeight: 623.82252

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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=NC(=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C36H53N3O6/c1-3-4-5-6-7-8-9-10-11-12-16-22-30(26-33(37)40)45-34(41)25-18-24-32(36(43)44-27-29-20-14-13-15-21-29)39-35(42)31-23-17-19-28(2)38-31/h13-15,17,19-21,23,30,32H,3-12,16,18,22,24-27H2,1-2H3,(H2,37,40)(H,39,42)