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Substance Name: A 70874
RN: 131449-37-1
InChIKey: IHDGRMXKGXPBRQ-XEJAQAJBSA-N

Note

  • Exhibits high potency & selectivity for cholecystokinin A receptors.

Molecular Formula

  • C45-H55-N7-O10

Molecular Weight

  • 853.969
 
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Names and Synonyms

Name of Substance

  • A 70874

Synonyms

  • A-70874
  • Boc-trp-lys(epsilon-N-4-hydroxycinnamoyl)-asp-(N-methyl)phe-NH2
  • N-((1,1-Dimethylethoxy)carbonyl)-L-tryptophyl-N6-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-L-lysyl-L-alpha-aspartyl-Nalpha-methyl-L-phenylalaninamide

Systematic Name

  • L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-L-tryptophyl-N6-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-L-lysyl-L-alpha-aspartyl-Nalpha-methyl-

Registry Numbers

CAS Registry Number

  • 131449-37-1

System Generated Number

  • 0131449371

Structure Descriptors

InChI

1S/C45H55N7O10/c1-45(2,3)62-44(61)51-36(25-30-27-49-34-16-9-8-14-32(30)34)42(59)52(41(58)35(47-4)24-29-12-6-5-7-13-29)43(60)37(26-39(55)56)50-40(57)33(46)15-10-11-23-48-38(54)22-19-28-17-20-31(53)21-18-28/h5-9,12-14,16-22,27,33,35-37,47,49,53H,10-11,15,23-26,46H2,1-4H3,(H,48,54)(H,50,57)(H,51,61)(H,55,56)/b22-19+/t33-,35-,36-,37-/m0/s1

InChIKey

IHDGRMXKGXPBRQ-XEJAQAJBSA-N

Smiles

C([C@@H](NC)Cc1ccccc1)(=O)N(C([C@@H](NC([C@@H](N)CCCCNC(\C=C\c1ccc(cc1)O)=O)=O)CC(=O)O)=O)C([C@@H](NC(=O)OC(C)(C)C)Cc1c[nH]c2ccccc12)=O