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Substance Name: L-Histidine, N-(N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-, methyl ester, monohydrochloride
RN: 42575-84-8
InChIKey: KXGVDKDKCJEZAR-DZSUWJOWSA-N

Molecular Formula

  • C25-H35-Cl2-N5-O4.Cl-H

Molecular Weight

  • 576.949
 
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Names and Synonyms

Synonym

  • N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-L-histidine methyl ester, monohydrochloride

Systematic Name

  • L-Histidine, N-(N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-DL-leucyl)-, methyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 42575-84-8

System Generated Number

  • 0042575848

Molecular Formulas

Molecular Formula

  • C25-H35-Cl2-N5-O4.Cl-H

Molecular Formula Fragments

  • C25-H35-Cl2-N5-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H35Cl2N5O4.ClH/c1-17(2)12-21(24(34)31-22(25(35)36-3)14-19-15-28-16-29-19)30-23(33)13-18-4-6-20(7-5-18)32(10-8-26)11-9-27;/h4-7,15-17,21-22H,8-14H2,1-3H3,(H,28,29)(H,30,33)(H,31,34);1H/t21?,22-;/m0./s1

InChIKey

KXGVDKDKCJEZAR-DZSUWJOWSA-N

Smiles

C([C@@H](NC([C@@H](NC(=O)Cc1ccc(cc1)N(CCCl)CCCl)CC(C)C)=O)Cc1c[nH]cn1)(=O)OC.Cl