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Substance Name: Cholecystokinin (25-33),2-(4-azidosalicylamido)-1,3-dithiopropionate(thr(28)-ahx(31))-
RN: 124894-89-9
InChIKey: BYKAURDEKRDYMN-IJXMQMCGSA-N

Molecular Formula

  • C65-H84-N14-O18-S5

Molecular Weight

  • 1509.7886
 
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Names and Synonyms

Name of Substance

  • Cholecystokinin (25-33),2-(4-azidosalicylamido)-1,3-dithiopropionate(thr(28)-ahx(31))-

Synonyms

  • 2-(4-Azidosalicylamido)-1,3-dithiopropionate(28-thr-31-ahx)-cholecystokinin (25-33)
  • Asd-thr-ahx-cck (25-33)
  • Cholecystokinin (25-33), 2-(4-azidosalicylamido)-1,3-dithiopropionate(threonyl(28)-aminohexanoyl(31))-
  • N-(3-((2-((4-Azido-2-hydroxybenzoyl)amino)ethyl)dithio)-1-oxopropyl)-L-alpha-aspartyl-O-sulfo-L-tyrosyl-L-methionyl-L-threonyl-L-tryptophyl-N-(6-((2-amino-2-oxo-1-(phenylmethyl)ethyl)amino)-6-oxohexyl)-L-methioninamide

Systematic Name

  • L-Methioninamide, N-(3-((2-((4-azido-2-hydroxybenzoyl)amino)ethyl)dithio)-1-oxopropyl)-L-alpha-aspartyl-O-sulfo-L-tyrosyl-L-methionyl-L-threonyl-L-tryptophyl-N-(6-((2-amino-2-oxo-1-(phenylmethyl)ethyl)amino)-6-oxohexyl)-

Registry Numbers

CAS Registry Number

  • 124894-89-9

System Generated Number

  • 0124894899

Structure Descriptors

InChI

1S/C65H84N14O18S5/c1-38(97-102(94,95)96)57(76-61(89)48(23-28-98-2)74-60(88)46(66)32-40-17-20-43(80)21-18-40)62(90)75-51(34-41-37-71-47-15-10-9-14-44(41)47)64(92)79(63(91)49(24-29-99-3)69-26-11-5-8-16-54(82)72-50(58(67)86)33-39-12-6-4-7-13-39)65(93)52(36-56(84)85)73-55(83)25-30-100-101-31-27-70-59(87)45-22-19-42(77-78-68)35-53(45)81/h4,6-7,9-10,12-15,17-22,35,37-38,46,48-52,57,69,71,80-81H,5,8,11,16,23-34,36,66H2,1-3H3,(H2,67,86)(H,70,87)(H,72,82)(H,73,83)(H,74,88)(H,75,90)(H,76,89)(H,84,85)(H,94,95,96)/t38-,46+,48+,49+,50?,51+,52+,57+/m1/s1

InChIKey

BYKAURDEKRDYMN-IJXMQMCGSA-N

Smiles

C[C@H]([C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N(C(=O)[C@H](CCSC)NCCCCCC(=O)NC(Cc3ccccc3)C(=O)N)C(=O)[C@H](CC(=O)O)NC(=O)CCSSCCNC(=O)c4ccc(cc4O)N=[N+]=[N-])NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc5ccc(cc5)O)N)OS(=O)(=O)O