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Substance Name: Jmv 167
RN: 120775-49-7
InChIKey: QEGWRYYJMIBQEC-DNOUOQLUSA-N

Note

  • Cholecystokinin receptor antagonist.

Molecular Weight

  • 1049.21
 
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Names and Synonyms

Name of Substance

  • Jmv 167

Synonyms

  • Boc-tyr(So3H)-nle-gly-trp-nle-asp-nhch2-CH2-C6H5
  • Jmv-167
  • tert-Butoxycarbonyl-sulfo-tyrosyl-norleucyl-glycyl-tryptophyl-norleucyl-aspartic acid phenethylamide

Systematic Name

  • L-alpha-Asparagine, N2-(N-(N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-O-sulfo-L-tyrosyl)-L-norleucyl)glycyl)-D-tryptophyl)-L-norleucyl)-N-(2-phenylethyl)-

Registry Numbers

CAS Registry Number

  • 120775-49-7

System Generated Number

  • 0120775497

Structure Descriptors

InChI

1S/C51H68N8O14S/c1-6-8-18-38(56-46(63)40(58-50(68)72-51(3,4)5)27-33-21-23-35(24-22-33)73-74(69,70)71)45(62)54-31-44(61)55-41(28-34-30-53-37-20-14-13-17-36(34)37)47(64)57-39(19-9-7-2)48(65)59(42(49(66)67)29-43(52)60)26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,53H,6-9,18-19,25-29,31H2,1-5H3,(H2,52,60)(H,54,62)(H,55,61)(H,56,63)(H,57,64)(H,58,68)(H,66,67)(H,69,70,71)/t38-,39-,40-,41+,42-/m0/s1

InChIKey

QEGWRYYJMIBQEC-DNOUOQLUSA-N

Smiles

C([C@H](CC(=O)N)N(CCc1ccccc1)C([C@@H](NC([C@H](NC(CNC([C@@H](NC([C@@H](NC(=O)OC(C)(C)C)Cc1ccc(OS(=O)(=O)O)cc1)=O)CCCC)=O)=O)Cc1c[nH]c2ccccc12)=O)CCCC)=O)(=O)O