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Substance Name: Cholecystokinin (27-33), tert-butyloxycarbonyl-nle(28,31)-
RN: 98640-66-5
InChIKey: CSXIDZJPJYRGSK-UJKKYYSESA-N

Note

  • Cholecystokinin agonist.

Molecular Formula

  • C52-H69-N-O15-S

Molecular Weight

  • 1092.2311
 
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Names and Synonyms

Name of Substance

  • Cholecystokinin (27-33), tert-butyloxycarbonyl-nle(28,31)-

Synonyms

  • Boc-28,31-nle-cck-7
  • Boc-tyr(SO3H)nle-gly-trp-nle-asp-phenh2
  • Cholecystokinin (27-33), tert-butyloxycarbonylnorleucyl(28,31)-
  • t-Boc(nle(28,31))-cck (27-33)
  • tert-Butoxycarbonyltyrosyl(sulfo)-norleucyl-glycyl-tryptophyl-norleucyl-aspartyl-phenylalaninamide
  • tert-Butyloxycarbonyl-28,31-nle-cholecystokinin (27-33)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 98640-66-5

System Generated Number

  • 0098640665

Structure Descriptors

InChI

1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t37-,38-,39-,40-,41-,42-/m0/s1

InChIKey

CSXIDZJPJYRGSK-UJKKYYSESA-N

Smiles

CCCC[C@@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)NC(=O)[C@H](Cc4ccc(cc4)OS(=O)(=O)O)NC(=O)OC(C)(C)C