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Reference substance information

IUPAC name:
Arginine/glutamic acid peptide reaction product with 3-chloro-2-hydroxypropyl-stearyl-dimethylammonium chloride

Molecular and structural information

Molecular formula:
C34H69Cl1N6O6 (representative molecular formula for C18 alkyl chain and the dipeptide arginine/glutamic acid)
Molecular weight:
ca. 637.31 - ca. 693.42
SMILES notation:
[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(O)CNC(CCCNC(N)=N)C(=O)NC(CCC(O)=O)C(O)=O (representative SMILES for C18 alkyl chain and the dipeptide arginine/glutamic acid)
InChl:
InChI=1/C34H68N6O6.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-40(2,3)27-28(41)26-38-29(21-20-24-37-34(35)36)32(44)39-30(33(45)46)22-23-31(42)43;/h28-30,38,41H,4-27H2,1-3H3,(H6-,35,36,37,39,42,43,44,45,46);1H (Representative InChI for C18 alkyl chain and the dipeptide arginine/glutamic acid)
Structural formula:
Chemical structure