MEL3 Isomer I Hydrochloride Salt

Product Specifications

Hazard Statement

No Data Available

Smiles

OC([C@H](CC1=CC=C(C=C1)N(CCOC([C@@H](N)CC2=CC=C(C=C2)N(CCOC([C@H](CC3=CC=C(C=C3)N(CCCl)CCCl)N)=O)CCCl)=O)CCCl)N)=O.Cl

Molecular Formula

C39H52Cl4N6O6 . x(HCl)

InChI

InChI=1S/C39H52Cl4N6O6.ClH/c40-13-17-47(18-14-41)31-7-3-29(4-8-31)26-35(45)38(52)55-24-22-49(20-16-43)33-11-5-30(6-12-33)27-36(46)39(53)54-23-21-48(19-15-42)32-9-1-28(2-10-32)25-34(44)37(50)51;/h1-12,34-36H,13-27,44-46H2,(H,50,51);1H/t34-,35-,36-;/m0./s1

Additionnal Information

IUPAC name: (S)-2-amino-3-(4-((2-(((S)-2-amino-3-(4-((2-(((S)-2-amino-3-(4-(bis(2-chloroethyl)amino)phenyl)propanoyl)oxy)ethyl)(2-chloroethyl)amino)phenyl)propanoyl)oxy)ethyl)(2-chloroethyl)amino)phenyl)propanoic acid hydrochloride