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Substance Name: H 218-54
RN: 117760-71-1
InChIKey: NVRDSEWNJXFSGD-UMZFBTNNSA-N

Note

  • Renin inhibitor.

Molecular Formula

  • C37-H56-N2-O5-S

Molecular Weight

  • 640.9244
 
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Names and Synonyms

Name of Substance

  • H 218-54

Synonyms

  • 1-Cyclohexyl-2-((dibenzylacetyl-L-norvalinyl)amino)-3-hydroxy-6-isopropylsulfonyl-5-methylhexane
  • H-218-54
  • H21854

Systematic Name

  • Benzenepropanamide, N-(1-(((1-(cyclohexylmethyl)-2-hydroxy-4-methyl-5-((1-methylethyl)sulfonyl)pentyl)amino)carbonyl)butyl)-alpha-(phenylmethyl)-, (1S-(1R*(R*),2R*,4S*))-

Registry Numbers

CAS Registry Number

  • 117760-71-1

System Generated Number

  • 0117760711

Structure Descriptors

InChI

1S/C37H56N2O5S/c1-5-15-33(38-36(41)32(23-29-16-9-6-10-17-29)24-30-18-11-7-12-19-30)37(42)39-34(25-31-20-13-8-14-21-31)35(40)22-28(4)26-45(43,44)27(2)3/h6-7,9-12,16-19,27-28,31-35,40H,5,8,13-15,20-26H2,1-4H3,(H,38,41)(H,39,42)/t28-,33?,34+,35+/m1/s1

InChIKey

NVRDSEWNJXFSGD-UMZFBTNNSA-N

Smiles

CCCC(C(=O)N[C@@H](CC1CCCCC1)[C@H](C[C@@H](C)CS(=O)(=O)C(C)C)O)NC(=O)C(Cc2ccccc2)Cc3ccccc3