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

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-(pyridin-3-ylcarbonylamino)hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-(pyridine-3-carbonylamino)hexanedioate CAS Name: 2-[[oxo(3-pyridinyl)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-(pyridine-3-carbonylamino)hexanedioate Traditional Name: 2-nicotinamidoadipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C35H51N3O6 MolecularWeight: 609.79594

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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=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C35H51N3O6/c1-2-3-4-5-6-7-8-9-10-11-15-21-30(25-32(36)39)44-33(40)23-16-22-31(38-34(41)29-20-17-24-37-26-29)35(42)43-27-28-18-13-12-14-19-28/h12-14,17-20,24,26,30-31H,2-11,15-16,21-23,25,27H2,1H3,(H2,36,39)(H,38,41)