O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(5-methylpyridin-2-yl)carbamoylamino]hexanedioate

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(5-methylpyridin-2-yl)carbamoylamino]hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-[(5-methyl-2-pyridyl)carbamoylamino]hexanedioate CAS Name: 2-[[[(5-methyl-2-pyridinyl)amino]-oxomethyl]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-[(5-methylpyridin-2-yl)carbamoylamino]hexanedioate Traditional Name: 2-[(5-methyl-2-pyridyl)carbamoylamino]adipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C36H54N4O6 MolecularWeight: 638.83716

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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=NC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)NC2=NC=C(C=C2)C

InChI

InChI=1S/C36H54N4O6/c1-3-4-5-6-7-8-9-10-11-12-16-20-30(25-32(37)41)46-34(42)22-17-21-31(35(43)45-27-29-18-14-13-15-19-29)39-36(44)40-33-24-23-28(2)26-38-33/h13-15,18-19,23-24,26,30-31H,3-12,16-17,20-22,25,27H2,1-2H3,(H2,37,41)(H2,38,39,40,44)