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Reference substance information

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

Molecular and structural information

Molecular formula:
C28H57Cl1N6O6 (representative molecular formula for C12 alkyl chain quaternised peptides of arginine and glutamic acid)
Molecular weight:
ca. 609.26 - ca. 693.42
SMILES notation:
[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(O)CNC(CCCNC(N)=N)C(=O)NC(CCC(O)=O)C(O)=O (representative SMILES for C12 alkyl chain quaternised peptides of arginine and glutamic acid)
InChl:
InChI=1/C28H56N6O6.ClH/c1-4-5-6-7-8-9-10-11-12-13-19-34(2,3)21-22(35)20-32-23(15-14-18-31-28(29)30)26(38)33-24(27(39)40)16-17-25(36)37;/h22-24,32,35H,4-21H2,1-3H3,(H6-,29,30,31,33,36,37,38,39,40);1H (representative InChI for C12 alkyl chain quaternised peptides of arginine and glutamic acid)
Structural formula:
Chemical structure