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Substance Name: Jmv 179
RN: 119386-87-7
InChIKey: IOXMTWKALARBDR-DNOUOQLUSA-N

Note

  • Cholecystokinin receptor antagonist.

Molecular Formula

  • C51-H67-N7-O15-S

Molecular Weight

  • 1050.19
 
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Names and Synonyms

Name of Substance

  • Jmv 179

Synonyms

  • Boc-tyr(SO3H)-nle-gly-trp-nle-asp-O-CH2-CH2-C6H5
  • Jmv-179
  • tert-Butoxycarbonyl-sulfo-tyrosyl-norleucyl-glycyl-tryptophyl-norleucyl-aspartic acid phenethyl ester

Systematic Name

  • L-Aspartic acid, N-(N-(N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-O-sulfo-L-tyrosyl)-L-norleucyl)glycyl)-D-tryptophyl)-L-norleucyl)-, 1-(2-phenylethyl) ester

Registry Numbers

CAS Registry Number

  • 119386-87-7

System Generated Number

  • 0119386877

Structure Descriptors

InChI

1S/C51H67N7O15S/c1-6-8-18-38(55-47(64)40(58-50(67)72-51(3,4)5)27-33-21-23-35(24-22-33)73-74(68,69)70)45(62)53-31-43(59)54-41(28-34-30-52-37-20-14-13-17-36(34)37)48(65)56-39(19-9-7-2)46(63)57-42(29-44(60)61)49(66)71-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,52H,6-9,18-19,25-29,31H2,1-5H3,(H,53,62)(H,54,59)(H,55,64)(H,56,65)(H,57,63)(H,58,67)(H,60,61)(H,68,69,70)/t38-,39-,40-,41+,42-/m0/s1

InChIKey

IOXMTWKALARBDR-DNOUOQLUSA-N

Smiles

c1(ccccc1)CCOC([C@H](CC(=O)O)NC([C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(CNC(=O)[C@@H](NC([C@H](Cc1ccc(cc1)OS(=O)(=O)O)NC(=O)OC(C)(C)C)=O)CCCC)=O)CCCC)=O)=O