O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-(pyridin-2-ylmethylcarbamoylamino)hexanedioate

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

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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)NCC2=CC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)NCC2=CC=CC=N2

InChI

InChI=1S/C36H54N4O6/c1-2-3-4-5-6-7-8-9-10-11-15-22-31(26-33(37)41)46-34(42)24-18-23-32(35(43)45-28-29-19-13-12-14-20-29)40-36(44)39-27-30-21-16-17-25-38-30/h12-14,16-17,19-21,25,31-32H,2-11,15,18,22-24,26-28H2,1H3,(H2,37,41)(H2,39,40,44)