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Substance Name: Bila 2157 BS
RN: 160937-56-4
InChIKey: RTFZIRGGIOYLOO-XNAGGRMISA-N

Note

  • Renin inhibitor.

Molecular Formula

  • C39-H62-N6-O5-S

Molecular Weight

  • 727.022
 
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Names and Synonyms

Name of Substance

  • Bila 2157 BS

Synonyms

  • (1S-(1R*(S*),2S*,3R*))-2-((2-Amino-4-thiazolyl)methyl)-N4-(cyclohexylmethyl)-N1-(1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-N4-(2-(methyl(2-(2-pyridinyl)ethyl)amino)-2-oxoethyl)butanediamide
  • Bila-2157 BS

Systematic Names

  • Butanediamide, 2-((2-amino-4-thiazolyl)methyl)-N4-(cyclohexylmethyl)-N'-(1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-N4-(2-(methyl(2-(2-pyridinyl)ethyl)amino)-2-oxoethyl)-, (1S-(1R*(S*),2S*,3R*))-
  • Butanediamide, 2-((2-amino-4-thiazolyl)methyl)-N4-(cyclohexylmethyl)-N1-(1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-N4-(2-(methyl(2-(2-pyridinyl)ethyl)amino)-2-oxoethyl)-, (1S-(1R*(S*),2S*,3R*))-

Registry Numbers

CAS Registry Number

  • 160937-56-4

System Generated Number

  • 0160937564

Structure Descriptors

InChI

1S/C39H62N6O5S/c1-27(2)20-34(46)37(49)33(21-28-12-6-4-7-13-28)43-38(50)30(22-32-26-51-39(40)42-32)23-35(47)45(24-29-14-8-5-9-15-29)25-36(48)44(3)19-17-31-16-10-11-18-41-31/h10-11,16,18,26-30,33-34,37,46,49H,4-9,12-15,17,19-25H2,1-3H3,(H2,40,42)(H,43,50)/t30-,33+,34+,37-/m1/s1

InChIKey

RTFZIRGGIOYLOO-XNAGGRMISA-N

Smiles

O=C(CN(C(C[C@H](C(N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O)=O)Cc1nc(N)sc1)=O)CC1CCCCC1)N(CCc1ccccn1)C