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Substance Name: A 68552
RN: 112882-74-3
InChIKey: HTISDDBHNNOAGK-HECCNADXSA-N

Note

  • Cholecystokinin agonist.

Molecular Weight

  • 991.1268
 
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Names and Synonyms

Name of Substance

  • A 68552

Synonyms

  • A-68552
  • Cholecystokinin-7, desamino-tyr(1)-nle(2,5)-(N-methyl)phe(7)-
  • Cholecystokinin-7, desaminotyrosyl(1)-norleucyl(2,5)-N-methylphenylalanine(7)-
  • Desamino-tyr(1)-nle(2,5)-(N-methyl)phe(7)-cck-7

Registry Numbers

CAS Registry Number

  • 112882-74-3

System Generated Number

  • 0112882743

Structure Descriptors

InChI

1S/C48H62N8O13S/c1-4-6-16-36(52-41(57)24-21-30-19-22-33(23-20-30)69-70(66,67)68)44(61)51-29-42(58)53-39(26-32-28-50-35-18-12-11-15-34(32)35)47(64)54-37(17-7-5-2)45(62)55-40(27-43(59)60)48(65)56-46(63)38(49-3)25-31-13-9-8-10-14-31/h8-15,18-20,22-23,28,36-40,49-50H,4-7,16-17,21,24-27,29H2,1-3H3,(H,51,61)(H,52,57)(H,53,58)(H,54,64)(H,55,62)(H,59,60)(H,56,63,65)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1

InChIKey

HTISDDBHNNOAGK-HECCNADXSA-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)NC(=O)[C@H](Cc3ccccc3)NC)NC(=O)CCc4ccc(cc4)OS(=O)(=O)O