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Substance Name: Jmv 236
RN: 113137-57-8
InChIKey: NPHMIEWTAQTTCZ-JBNHEJHRSA-N

Note

  • Cholecystokinin antagonist.

Molecular Formula

  • C56-H74-N10-O18-S

Molecular Weight

  • 1207.32
 
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Names and Synonyms

Name of Substance

  • Jmv 236

Synonyms

  • Cholecystokinin (26-33), t-boc-nle(28,31)-
  • Cholecystokinin (26-33), tert-butyloxycarbonylnorleucine(28,31)-
  • Jmv-236
  • t-Boc(nle(28,31))-cck (26-33)
  • t-Boc-28,31-nle-cholecystokinin (26-33)

Systematic Name

  • L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-L-alpha-aspartyl-O-sulfo-L-tyrosyl-L-norleucylglycyl-L-tryptophyl-L-norleucyl-L-alpha-aspartyl-

Registry Numbers

CAS Registry Number

  • 113137-57-8

System Generated Number

  • 0113137578

Structure Descriptors

InChI

1S/C56H74N10O18S/c1-6-8-18-39(61-48(72)37(57)25-33-21-23-35(67)24-22-33)49(73)59-31-45(68)60-42(27-34-30-58-38-20-14-13-17-36(34)38)51(75)62-40(19-9-7-2)50(74)64-44(29-47(71)84-85(80,81)82)52(76)63-41(26-32-15-11-10-12-16-32)53(77)66-54(78)43(28-46(69)70)65-55(79)83-56(3,4)5/h10-17,20-24,30,37,39-44,58,67H,6-9,18-19,25-29,31,57H2,1-5H3,(H,59,73)(H,60,68)(H,61,72)(H,62,75)(H,63,76)(H,64,74)(H,65,79)(H,69,70)(H,66,77,78)(H,80,81,82)/t37-,39-,40-,41-,42-,43-,44-/m0/s1

InChIKey

NPHMIEWTAQTTCZ-JBNHEJHRSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](N)Cc1ccc(O)cc1)=O)CCCC)=O)=O)Cc1c[nH]c2ccccc12)=O)CCCC)=O)CC(OS(=O)(=O)O)=O)=O)Cc1ccccc1)(=O)NC([C@@H](NC(=O)OC(C)(C)C)CC(=O)O)=O