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Substance Name: Cholecystokinin (26-32), tyr-gly-nle(28,31) phenethyl ester-
RN: 119400-92-9
InChIKey: HWCNOCJUNZSGBS-VDNFRELWSA-N

Molecular Formula

  • C61-H76-N10-O19-S

Molecular Weight

  • 1285.39
 
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Names and Synonyms

Name of Substance

  • Cholecystokinin (26-32), tyr-gly-nle(28,31) phenethyl ester-

Synonyms

  • Cck (26-32), tyr-gly-nle(28,31) phenethyl ester-
  • Cck-ope
  • Cholecystokinin (26-32), tyrosyl-glycyl-norleucine(28,31) phenethyl ester-
  • D-Tyr-gly-asp-tyr(SO3)-nle-gly-trp-nle-asp-2-phenylethyl ester
  • Tgn-cck-pee
  • Tyr-gly-28,31-nle-cck(28-32) phenethyl ester
  • Tyrosyl-glycyl-aspartyl-sulfotyrosyl-norleucyl-glycyl-tryptophyl-norleucyl-aspartic acid 2-phenylethyl ester

Systematic Name

  • L-Aspartic acid, N-(N-(N-(N-(N-(O-sulfo-N-(N-(N-D-tyrosylglycyl)-L-alpha-aspartyl)-L-tyrosyl)-L-norleucyl)glycyl)-L-tryptophyl)-L-norleucyl)-, 1-(2-phenylethyl) ester

Registry Numbers

CAS Registry Number

  • 119400-92-9

System Generated Number

  • 0119400929

Structure Descriptors

InChI

1S/C61H76N10O19S/c1-3-5-15-45(68-58(82)47(29-38-20-24-41(25-21-38)90-91(86,87)88)70-60(84)49(31-53(75)76)67-51(73)34-64-55(79)43(62)28-37-18-22-40(72)23-19-37)56(80)65-35-52(74)66-48(30-39-33-63-44-17-11-10-14-42(39)44)59(83)69-46(16-6-4-2)57(81)71-50(32-54(77)78)61(85)89-27-26-36-12-8-7-9-13-36/h7-14,17-25,33,43,45-50,63,72H,3-6,15-16,26-32,34-35,62H2,1-2H3,(H,64,79)(H,65,80)(H,66,74)(H,67,73)(H,68,82)(H,69,83)(H,70,84)(H,71,81)(H,75,76)(H,77,78)(H,86,87,88)/t43-,45+,46+,47+,48+,49+,50+/m1/s1

InChIKey

HWCNOCJUNZSGBS-VDNFRELWSA-N

Smiles

c1(ccc(cc1)O)C[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@@H](Cc1c[nH]c2ccccc12)C(N[C@H](C(N[C@@H](CC(O)=O)C(=O)OCCc1ccccc1)=O)CCCC)=O)=O)=O)CCCC)=O)Cc1ccc(OS(=O)(=O)O)cc1)=O)CC(=O)O)=O)=O)N