O1-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O6-(phenylmethyl) 2-[ethanoyl(1H-imidazol-5-yl)amino]hexanedioate

Systemtic Name: O1-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O6-(phenylmethyl) 2-[ethanoyl(1H-imidazol-5-yl)amino]hexanedioate Openeye Name: O1-[1-(2-amino-2-oxo-ethyl)tetradecyl] O6-benzyl 2-[acetyl(1H-imidazol-5-yl)amino]hexanedioate CAS Name: 2-[acetyl(1H-imidazol-5-yl)amino]hexanedioic acid O1-(1-amino-1-oxohexadecan-3-yl) ester O6-(phenylmethyl) ester IUPAC Name: 1-O-(1-amino-1-oxohexadecan-3-yl) 6-O-benzyl 2-[acetyl(1H-imidazol-5-yl)amino]hexanedioate Traditional Name: 2-[acetyl(1H-imidazol-5-yl)amino]adipic acid O1-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O6-benzyl ester Formula: C34H52N4O6 MolecularWeight: 612.79988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)N(C2=CN=CN2)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)N(C2=CN=CN2)C(=O)C

InChI

InChI=1S/C34H52N4O6/c1-3-4-5-6-7-8-9-10-11-12-16-20-29(23-31(35)40)44-34(42)30(38(27(2)39)32-24-36-26-37-32)21-17-22-33(41)43-25-28-18-14-13-15-19-28/h13-15,18-19,24,26,29-30H,3-12,16-17,20-23,25H2,1-2H3,(H2,35,40)(H,36,37)