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Substance Name: A 57696
RN: 125598-87-0
InChIKey: XUIILZAJJORFPN-JSRHHAARSA-N

Note

  • A cholecystokinin antagonist.

Molecular Weight

  • 693.797
 
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Names and Synonyms

Name of Substance

  • A 57696

Synonyms

  • A-57696
  • Boc-trp-leu-asp-phe-nhnh2
  • t-Butyloxycarbonyl-tryptophyl-leucyl-aspartyl-phenylalanine-hydrazide
  • tert-Butyloxycarbonyl-trp-leu-asp-phe-nhnh2

Systematic Name

  • L-Phenylalanine, N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-tryptophyl)-L-leucyl)-L-alpha-aspartyl)-, 1-hydrazide

Registry Numbers

CAS Registry Number

  • 125598-87-0

System Generated Number

  • 0125598870

Structure Descriptors

InChI

1S/C35H47N7O8/c1-20(2)14-27(31(46)40-29(19-44)33(48)38-24(18-43)15-21-10-12-22(13-11-21)30(45)42-36)39-32(47)28(41-34(49)50-35(3,4)5)16-23-17-37-26-9-7-6-8-25(23)26/h6-13,17-18,20,24,27-29,37,44H,14-16,19,36H2,1-5H3,(H,38,48)(H,39,47)(H,40,46)(H,41,49)(H,42,45)/t24-,27-,28-,29-/m0/s1

InChIKey

XUIILZAJJORFPN-JSRHHAARSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)OC(C)(C)C)Cc1c[nH]c2ccccc12)=O)CC(C)C)=O)CO)=O)Cc1ccc(cc1)C(=O)NN)=O