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

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-(pyrazin-2-ylcarbonylamino)hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-(pyrazine-2-carbonylamino)hexanedioate CAS Name: 2-[[oxo(2-pyrazinyl)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-(pyrazine-2-carbonylamino)hexanedioate Traditional Name: 2-(pyrazinoylamino)adipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C34H50N4O6 MolecularWeight: 610.784

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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=CN=C2

Isomeric SMILES

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

InChI

InChI=1S/C34H50N4O6/c1-2-3-4-5-6-7-8-9-10-11-15-19-28(24-31(35)39)44-32(40)21-16-20-29(38-33(41)30-25-36-22-23-37-30)34(42)43-26-27-17-13-12-14-18-27/h12-14,17-18,22-23,25,28-29H,2-11,15-16,19-21,24,26H2,1H3,(H2,35,39)(H,38,41)