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Substance Name: Cholecystokinin (1-14)
RN: 80980-82-1
InChIKey: FVSJMMYIYUHKBH-TYCHKHOASA-N

Molecular Formula

  • C80-H114-N24-O25-S3

Molecular Weight

  • 1908.1216
 
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Names and Synonyms

Name of Substance

  • Cholecystokinin (1-14)

Synonyms

  • Cck (1-14)
  • Cck 14

Systematic Name

  • L-Phenylalaninamide, L-histidyl-L-arginyl-L-isoleucyl-L-seryl-L-alpha-aspartyl-L-arginyl-L-alpha-aspartyl-O-sulfo-L-tyrosyl-L-methionylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-

Registry Numbers

CAS Registry Number

  • 80980-82-1

System Generated Number

  • 0080980821

Structure Descriptors

InChI

1S/C80H114N24O25S3/c1-5-41(2)65(103-71(118)52(18-12-26-89-80(85)86)94-67(114)49(82)32-45-37-87-40-92-45)78(125)102-60(39-105)77(124)100-57(33-62(108)109)73(120)96-51(17-11-25-88-79(83)84)69(116)99-58(34-63(110)111)76(123)104-75(122)55(30-42-13-7-6-8-14-42)98-74(121)59(35-64(112)129-132(126,127)128)101-70(117)54(24-28-131-4)97-72(119)56(31-44-36-90-50-16-10-9-15-47(44)50)93-61(107)38-91-68(115)53(23-27-130-3)95-66(113)48(81)29-43-19-21-46(106)22-20-43/h6-10,13-16,19-22,36-37,40-41,48-49,51-60,65,90,105-106H,5,11-12,17-18,23-35,38-39,81-82H2,1-4H3,(H,87,92)(H,91,115)(H,93,107)(H,94,114)(H,95,113)(H,96,120)(H,97,119)(H,98,121)(H,99,116)(H,100,124)(H,101,117)(H,102,125)(H,103,118)(H,108,109)(H,110,111)(H4,83,84,88)(H4,85,86,89)(H,104,122,123)(H,126,127,128)/t41-,48-,49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-/m0/s1

InChIKey

FVSJMMYIYUHKBH-TYCHKHOASA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)OS(=O)(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4ccc(cc4)O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc5c[nH]cn5)N