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Substance Name: (ortho-Nitrophenyl)sulfenyl pentagastrin
RN: 72957-43-8
InChIKey: WAQHPVZIMKXYPO-YDPTYEFTSA-N

Note

  • Possible gastrin receptors antagonist; in anesthetized rat with continuous gastric perfusion, inhibits gastric acid secretion.

Molecular Weight

  • 921.061
 
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Names and Synonyms

Name of Substance

  • (ortho-Nitrophenyl)sulfenyl pentagastrin

Synonyms

  • (o-Nitrophenyl)sulphenyl pentagastrin
  • PgNpS

Systematic Name

  • L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-beta-alanyl-1-((2-nitrophenyl)thio)-L-tryptophyl-L-methionyl-L-alpha-aspartyl-

Registry Numbers

CAS Registry Number

  • 72957-43-8

System Generated Number

  • 0072957438

Structure Descriptors

InChI

1S/C43H52N8O11S2/c1-43(2,3)62-42(59)45-20-18-36(52)49-41(58)31(22-26-12-6-5-7-13-26)47-40(57)32(24-37(53)54)48-39(56)30(19-21-63-4)46-38(55)29(44)23-27-25-50(33-15-9-8-14-28(27)33)64-35-17-11-10-16-34(35)51(60)61/h5-17,25,29-32H,18-24,44H2,1-4H3,(H,45,59)(H,46,55)(H,47,57)(H,48,56)(H,53,54)(H,49,52,58)/t29-,30-,31-,32-/m0/s1

InChIKey

WAQHPVZIMKXYPO-YDPTYEFTSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)Cc1cn(c2ccccc12)Sc1c(cccc1)[N+](=O)[O-])=O)CCSC)=O)CC(=O)O)=O)Cc1ccccc1)(=O)NC(CCNC(=O)OC(C)(C)C)=O