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Substance Name: Cholecystokinin (25-33), tyr(25)-nle(28,31)-
RN: 132032-04-3
InChIKey: JCAIPWWBLRVCAU-ZRJFNEKDSA-N

Molecular Formula

  • C60-H75-N11-O18-S

Molecular Weight

  • 1270.3775
 
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Names and Synonyms

Name of Substance

  • Cholecystokinin (25-33), tyr(25)-nle(28,31)-

Synonyms

  • 25-Tyr-28,31-nle-cholecystokinin (25-33)
  • Cck (25-33), tyr(25)-nle(28,31)-
  • Cholecystokinin (25-33), tyrosyl(28)-norleucine(28,31)-

Systematic Name

  • Caerulein, 1-de(5-oxo-L-proline)-2-D-tyrosine-5-L-norleucine-8-L-norleucine-

Registry Numbers

CAS Registry Number

  • 132032-04-3

System Generated Number

  • 0132032043

Structure Descriptors

InChI

1S/C60H75N11O18S/c1-3-5-15-43(66-57(82)46(28-36-20-24-39(25-21-36)89-90(86,87)88)70-60(85)48(30-51(74)75)69-54(79)41(61)26-35-18-22-38(72)23-19-35)55(80)64-33-50(73)65-47(29-37-32-63-42-17-11-10-14-40(37)42)58(83)67-44(16-6-4-2)56(81)71-49(31-52(76)77)59(84)68-45(53(62)78)27-34-12-8-7-9-13-34/h7-14,17-25,32,41,43-49,63,72H,3-6,15-16,26-31,33,61H2,1-2H3,(H2,62,78)(H,64,80)(H,65,73)(H,66,82)(H,67,83)(H,68,84)(H,69,79)(H,70,85)(H,71,81)(H,74,75)(H,76,77)(H,86,87,88)/t41-,43+,44+,45+,46+,47+,48+,49+/m1/s1

InChIKey

JCAIPWWBLRVCAU-ZRJFNEKDSA-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)[C@H](CC(=O)O)NC(=O)[C@@H](Cc5ccc(cc5)O)N