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Substance Name: CP 85339
RN: 119625-53-5
InChIKey: CPEDLFSOFJMWGO-AUFFENBXSA-N

Note

  • X-ray analysis of peptide-renin complexes define the structural basis of specificity for human and mouse renin.

Molecular Formula

  • C31-H48-N4-O6-S.Cl-H

Molecular Weight

  • 641.2691
 
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Names and Synonyms

Name of Substance

  • CP 85339

Synonyms

  • CP-85,339
  • Isopropyl-4-cyclohexyl-2-hydroxy-3-((propyl-L-phenylalanyl-5-methyl-L-cysteinyl)amino)butanoate hydrochloride

Systematic Name

  • L-Cysteinamide, L-prolyl-L-phenylalanyl-N-(1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl)-S-methyl-, monohydrochloride, (R-(R*,S*))-

Registry Numbers

CAS Registry Number

  • 119625-53-5

System Generated Number

  • 0119625535

Molecular Formulas

Molecular Formula

  • C31-H48-N4-O6-S.Cl-H

Molecular Formula Fragments

  • C31-H48-N4-O6-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C31H48N4O6S.ClH/c1-20(2)41-31(40)27(36)24(17-21-11-6-4-7-12-21)33-26(19-42-3)30(39)35-29(38)25(18-22-13-8-5-9-14-22)34-28(37)23-15-10-16-32-23;/h5,8-9,13-14,20-21,23-27,32-33,36H,4,6-7,10-12,15-19H2,1-3H3,(H,34,37)(H,35,38,39);1H/t23-,24-,25-,26-,27+;/m0./s1

InChIKey

CPEDLFSOFJMWGO-AUFFENBXSA-N

Smiles

CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)N[C@@H](CSC)C(=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]3CCCN3)O.Cl