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

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-(2-pyridin-2-ylethanoylamino)hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-[[2-(2-pyridyl)acetyl]amino]hexanedioate CAS Name: 2-[[1-oxo-2-(2-pyridinyl)ethyl]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-pyridin-2-ylacetyl)amino]hexanedioate Traditional Name: 2-[[2-(2-pyridyl)acetyl]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)CC2=CC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)CC2=CC=CC=N2

InChI

InChI=1S/C36H53N3O6/c1-2-3-4-5-6-7-8-9-10-11-15-22-31(27-33(37)40)45-35(42)24-18-23-32(36(43)44-28-29-19-13-12-14-20-29)39-34(41)26-30-21-16-17-25-38-30/h12-14,16-17,19-21,25,31-32H,2-11,15,18,22-24,26-28H2,1H3,(H2,37,40)(H,39,41)