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Substance Name: Cholecystokinin-J
RN: 144396-38-3
InChIKey: TUDCKMOFZXPUTC-HECCNADXSA-N

Molecular Formula

  • C49-H66-N6-O16-S

Molecular Weight

  • 1027.15
 
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Names and Synonyms

Name of Substance

  • Cholecystokinin-J

Synonyms

  • Boc-tyr(SO3)-nle-gly-tyr-nle-asp-pee
  • CCK-J
  • tert-Butyloxycarbonyl-sulfotyrosyl-norleucyl-glycyl-tyrosyl-norleucyl-aspartic acid 2-phenylethyl ester

Systematic Name

  • L-Aspartic acid, N-(N-(N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-O-sulfo-L-tyrosyl)-L-norleucyl)glycyl)-L-tyrosyl)-L_norleucyl)-, 1-(2-phenylethyl) ester

Registry Numbers

CAS Registry Number

  • 144396-38-3

System Generated Number

  • 0144396383

Structure Descriptors

InChI

1S/C49H66N6O16S/c1-6-8-15-36(52-46(63)39(55-48(65)70-49(3,4)5)28-33-19-23-35(24-20-33)71-72(66,67)68)43(60)50-30-41(57)51-38(27-32-17-21-34(56)22-18-32)45(62)53-37(16-9-7-2)44(61)54-40(29-42(58)59)47(64)69-26-25-31-13-11-10-12-14-31/h10-14,17-24,36-40,56H,6-9,15-16,25-30H2,1-5H3,(H,50,60)(H,51,57)(H,52,63)(H,53,62)(H,54,61)(H,55,65)(H,58,59)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1

InChIKey

TUDCKMOFZXPUTC-HECCNADXSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC(=O)OC(C)(C)C)Cc1ccc(OS(=O)(=O)O)cc1)=O)CCCC)=O)=O)Cc1ccc(O)cc1)=O)CCCC)=O)CC(=O)O)(=O)OCCc1ccccc1