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

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-(pyridin-2-ylcarbamoylamino)hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-(2-pyridylcarbamoylamino)hexanedioate CAS Name: 2-[[oxo-(2-pyridinylamino)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-ylcarbamoylamino)hexanedioate Traditional Name: 2-(2-pyridylcarbamoylamino)adipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C35H52N4O6 MolecularWeight: 624.81058

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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)NC2=CC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)NC2=CC=CC=N2

InChI

InChI=1S/C35H52N4O6/c1-2-3-4-5-6-7-8-9-10-11-15-21-29(26-31(36)40)45-33(41)24-18-22-30(34(42)44-27-28-19-13-12-14-20-28)38-35(43)39-32-23-16-17-25-37-32/h12-14,16-17,19-20,23,25,29-30H,2-11,15,18,21-22,24,26-27H2,1H3,(H2,36,40)(H2,37,38,39,43)