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Substance Name: Desulfated sincalide
RN: 25679-24-7
InChIKey: ZBTPHEHKAHBSMT-YRVFCXMDSA-N

Note

  • Cholecystokinin receptor antagonist.

Molecular Formula

  • C49-H62-N10-O13-S2

Molecular Weight

  • 1063.2178
 
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Names and Synonyms

Name of Substance

  • Desulfated sincalide

Synonyms

  • Des(SO3)cck-8
  • Desulfated cholecystokinin-8

Systematic Name

  • Caerulein, 1-de(5-oxo-L-proline)-2-de-L-glutamine-4-desulfo-5-L-methionine-

Registry Numbers

CAS Registry Number

  • 25679-24-7

System Generated Number

  • 0025679247

Structure Descriptors

InChI

1S/C49H62N10O13S2/c1-73-18-16-34(46(69)56-36(20-28-12-14-30(60)15-13-28)44(67)43(66)32(50)23-41(62)63)54-40(61)26-53-45(68)37(22-29-25-52-33-11-7-6-10-31(29)33)57-47(70)35(17-19-74-2)55-48(71)38(24-42(64)65)58-49(72)39(59-51)21-27-8-4-3-5-9-27/h3-15,25,32,34-39,52,59-60H,16-24,26,50-51H2,1-2H3,(H,53,68)(H,54,61)(H,55,71)(H,56,69)(H,57,70)(H,58,72)(H,62,63)(H,64,65)/t32-,34-,35-,36-,37-,38-,39-/m0/s1

InChIKey

ZBTPHEHKAHBSMT-YRVFCXMDSA-N

Smiles

CSCC[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)C(=O)[C@H](CC(=O)O)N)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4ccccc4)NN