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Substance Name: PD 136450
RN: 139067-52-0
InChIKey: REMAMJQTIPBFTH-MYJPUEAFSA-N

Note

  • Gastrin receptor antagonist; dipeptoid which resembles the carboxy-terminal moiety of gastrin.

Molecular Formula

  • C35-H40-N4-O6

Molecular Weight

  • 612.723
 
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Names and Synonyms

Name of Substance

  • PD 136450

Synonyms

  • 4-((2- ((3-(1H-Indol-3-yl)-2-methyl-1-oxo-2-(((tricyclo(3.3.1.1(3,7))dec-2-yloxy)carbonyl)amino)propyl)amino)-1-phenylethyl)amino)-4-oxo-2-butenoic acid
  • Cam 1189
  • CAM-1189
  • PD-136450

Systematic Name

  • 2-Butenoic acid, 4-((2-((3-(1H-indol-3-yl)-2-methyl-1-oxo-2-(((tricyclo(3.3.1.1(3,7))dec-2-yloxy)carbonyl)amino)propyl)amino)-1-phenylethyl)amino)-4-oxo-, (R-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 139067-52-0

System Generated Number

  • 0139067520

Structure Descriptors

InChI

1S/C35H40N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-12,19,21-22,24-25,29,32,36H,13-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/b12-11+/t21?,22?,24?,25?,29-,32?,35+/m0/s1

InChIKey

REMAMJQTIPBFTH-MYJPUEAFSA-N

Smiles

C(\C=C\C(=O)N[C@@H](CNC([C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(CC1C3)C2)C)=O)c1ccccc1)(=O)O