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Substance Name: Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-N-(L-arginyl-L-arginyl-L-norleucyl)-, methyl ester, hexahydrochloride
RN: 102516-63-2
InChIKey: JTLANPCWNHLDCD-BOOUUOBTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H55-Cl2-N11-O5.6Cl-H

Molecular Weight

  • 963.5299
 
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Names and Synonyms

Synonym

  • Methyl ester of L-arginyl-L-arginyl-L-norleucylsarcolysine hexahydrochloride

Systematic Name

  • Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-N-(L-arginyl-L-arginyl-L-norleucyl)-, methyl ester, hexahydrochloride

Registry Numbers

CAS Registry Number

  • 102516-63-2

System Generated Number

  • 0102516632

Molecular Formulas

Molecular Formula

  • C32-H55-Cl2-N11-O5.6Cl-H

Molecular Formula Fragments

  • C32-H55-Cl2-N11-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C32H55Cl2N11O5.6ClH/c1-3-4-8-24(29(48)44-26(30(49)50-2)20-21-10-12-22(13-11-21)45(18-14-33)19-15-34)43-28(47)25(9-6-17-41-32(38)39)42-27(46)23(35)7-5-16-40-31(36)37;;;;;;/h10-13,23-26H,3-9,14-20,35H2,1-2H3,(H,42,46)(H,43,47)(H,44,48)(H4,36,37,40)(H4,38,39,41);6*1H/t23-,24-,25-,26-;;;;;;/m0....../s1

InChIKey

JTLANPCWNHLDCD-BOOUUOBTSA-N

Smiles

CCCC[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)OC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N.Cl.Cl.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 996, 1976.