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Substance Name: Cholecystokinin (25-33), thr(28)-nle(31)-
RN: 77568-41-3
InChIKey: PBHKFCLZCVGPRU-VCCAZEROSA-N

Molecular Weight

  • 1251.34
 
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Names and Synonyms

Name of Substance

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

Synonyms

  • 28-Thr-31-nle-cholecystokinin (25-33)
  • Cck (25-33), thr(28)-nle(31)-
  • CCKTN
  • Cholecystokinin (25-33), threonyl(28)-norleucine(31)-

Systematic Name

  • Caerulein, 1-de(5-oxo-L-proline)-2-L-arginine-8-L-norleucine-, (R)-

Registry Numbers

CAS Registry Number

  • 77568-41-3

System Generated Number

  • 0077568413

Structure Descriptors

InChI

1S/C55H74N14O18S/c1-3-4-15-38(64-50(79)40(24-32-27-61-37-16-9-8-13-34(32)37)63-43(72)28-62-54(83)46(29(2)70)68-48(77)36(57)22-31-17-19-33(71)20-18-31)49(78)67-42(26-45(75)87-88(84,85)86)51(80)66-39(23-30-11-6-5-7-12-30)52(81)69-53(82)41(25-44(73)74)65-47(76)35(56)14-10-21-60-55(58)59/h5-9,11-13,16-20,27,29,35-36,38-42,46,61,70-71H,3-4,10,14-15,21-26,28,56-57H2,1-2H3,(H,62,83)(H,63,72)(H,64,79)(H,65,76)(H,66,80)(H,67,78)(H,68,77)(H,73,74)(H4,58,59,60)(H,69,81,82)(H,84,85,86)/t29-,35+,36+,38+,39+,40+,41+,42+,46+/m1/s1

InChIKey

PBHKFCLZCVGPRU-VCCAZEROSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](N)Cc1ccc(O)cc1)=O)[C@@H](C)O)=O)=O)Cc1c[nH]c2ccccc12)=O)CCCC)=O)CC(OS(=O)(=O)O)=O)=O)Cc1ccccc1)(=O)NC([C@@H](NC([C@@H](N)CCCNC(=N)N)=O)CC(=O)O)=O