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

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-(quinoxalin-2-ylcarbonylamino)hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-(quinoxaline-2-carbonylamino)hexanedioate CAS Name: 2-[[oxo(2-quinoxalinyl)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-(quinoxaline-2-carbonylamino)hexanedioate Traditional Name: 2-(quinoxaline-2-carbonylamino)adipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C38H52N4O6 MolecularWeight: 660.84268

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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=NC3=CC=CC=C3N=C2

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C38H52N4O6/c1-2-3-4-5-6-7-8-9-10-11-15-21-30(26-35(39)43)48-36(44)25-18-24-33(38(46)47-28-29-19-13-12-14-20-29)42-37(45)34-27-40-31-22-16-17-23-32(31)41-34/h12-14,16-17,19-20,22-23,27,30,33H,2-11,15,18,21,24-26,28H2,1H3,(H2,39,43)(H,42,45)