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Substance Name: Cholecystokinin (26-33), I-tyr-gly-nle(28,31)-
RN: 118688-24-7
InChIKey: ODPHDJYCCQFLCA-ZRJFNEKDSA-N

Molecular Formula

  • C62-H77-I-N12-O19-S

Molecular Weight

  • 1453.3213
 
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Names and Synonyms

Name of Substance

  • Cholecystokinin (26-33), I-tyr-gly-nle(28,31)-

Synonyms

  • Cck (26-33), I-tyr-gly-nle(28,31)-
  • Cck-itgn
  • Cholecystokinin (26-33), iodo-tyrosyl-glycyl-norleucine(28,31)-
  • Iodo-tyr-gly-28,31-nle-cholecystokinin (26-33)

Systematic Name

  • Caerulein, 1-(3-iodo-L-tyrosine)-2-glycine-5-L-norleucine-8-L-norleucine-

Registry Numbers

CAS Registry Number

  • 118688-24-7

System Generated Number

  • 0118688247

Structure Descriptors

InChI

1S/C62H77IN12O19S/c1-3-5-15-43(71-59(87)46(27-35-18-21-38(22-19-35)94-95(91,92)93)74-61(89)48(29-53(79)80)70-51(77)32-67-56(84)41(64)25-36-20-23-50(76)40(63)24-36)57(85)68-33-52(78)69-47(28-37-31-66-42-17-11-10-14-39(37)42)60(88)72-44(16-6-4-2)58(86)75-49(30-54(81)82)62(90)73-45(55(65)83)26-34-12-8-7-9-13-34/h7-14,17-24,31,41,43-49,66,76H,3-6,15-16,25-30,32-33,64H2,1-2H3,(H2,65,83)(H,67,84)(H,68,85)(H,69,78)(H,70,77)(H,71,87)(H,72,88)(H,73,90)(H,74,89)(H,75,86)(H,79,80)(H,81,82)(H,91,92,93)/t41-,43+,44+,45+,46+,47+,48+,49+/m1/s1

InChIKey

ODPHDJYCCQFLCA-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)CNC(=O)[C@@H](Cc5ccc(c(c5)I)O)N