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Substance Name: ES 1005
RN: 115404-79-0
InChIKey: IYZRFOAPEUBNQP-JPZLKUPGSA-N

Note

  • Human renin inhibitor.

Molecular Formula

  • C50-H67-N7-O6.2Cl-H

Molecular Weight

  • 935.0441
 
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Names and Synonyms

Name of Substance

  • ES 1005

Synonyms

  • Bis((1-naphthyl)methyl)acetyl-histidyl-statyl-leucyl-episilon-lysinol
  • ES-1005

Systematic Name

  • 1H-Imidazole-4-propanamide, N-(4-((1-(((5-amino-6-hydroxyhexyl)amino)carbonyl)-3-methylbutyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-alpha-((3-(1-naphthalenyl)-2-(1-naphthalenylmethyl)-1-oxopropyl)amino)-, dihydrochloride, (1S-(1R*(R*),2R*,4(R*(R*))))-

Registry Numbers

CAS Registry Number

  • 115404-79-0

System Generated Number

  • 0115404790

Molecular Formulas

Molecular Formula

  • C50-H67-N7-O6.2Cl-H

Molecular Formula Fragments

  • C50-H67-N7-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C50H67N7O6.2ClH/c1-32(2)23-43(46(59)28-47(60)55-44(24-33(3)4)49(62)53-22-10-9-19-39(51)30-58)56-50(63)45(27-40-29-52-31-54-40)57-48(61)38(25-36-17-11-15-34-13-5-7-20-41(34)36)26-37-18-12-16-35-14-6-8-21-42(35)37;;/h5-8,11-18,20-21,29,31-33,38-39,43-46,58-59H,9-10,19,22-28,30,51H2,1-4H3,(H,52,54)(H,53,62)(H,55,60)(H,56,63)(H,57,61);2*1H/t39-,43?,44-,45?,46-;;/m0../s1

InChIKey

IYZRFOAPEUBNQP-JPZLKUPGSA-N

Smiles

CC(C)C[C@@H](C(=O)NCCCC[C@@H](CO)N)NC(=O)C[C@@H](C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc2cccc3c2cccc3)Cc4cccc5c4cccc5)O.Cl.Cl