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Substance Name: Cholecystokinin (26-33), tyr-gly-(nle(28,31),4-No2-phe(33))
RN: 115136-01-1
InChIKey: DHRNLWXNGMROCA-LFMQRFFJSA-N

Molecular Weight

  • 1372.4263
 
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Names and Synonyms

Name of Substance

  • Cholecystokinin (26-33), tyr-gly-(nle(28,31),4-No2-phe(33))

Synonyms

  • Cck-tgnno2P
  • Cholecystokinin (26-33), tyrosyl-glycyl-(norleucyl(28,31))-para-No2-
  • Tyr-gly-(28,31-nle-33-p-No2-phe)-cholecystokinin (26-33)

Registry Numbers

CAS Registry Number

  • 115136-01-1

System Generated Number

  • 0115136011

Structure Descriptors

InChI

1S/C62H77N13O21S/c1-3-5-10-46(71-56(84)43(64)26-36-17-23-40(77)24-18-36)57(85)68-33-51(78)69-48(28-37-31-66-45-12-8-7-9-41(37)45)59(87)72-47(11-6-4-2)58(86)73-50(30-54(82)96-97(93,94)95)62(90)74(60(88)44(65)27-34-13-19-38(20-14-34)75(91)92)61(89)49(29-53(80)81)70-52(79)32-67-55(83)42(63)25-35-15-21-39(76)22-16-35/h7-9,12-24,31,42-44,46-50,66,76-77H,3-6,10-11,25-30,32-33,63-65H2,1-2H3,(H,67,83)(H,68,85)(H,69,78)(H,70,79)(H,71,84)(H,72,87)(H,73,86)(H,80,81)(H,93,94,95)/t42-,43+,44+,46+,47+,48+,49+,50+/m1/s1

InChIKey

DHRNLWXNGMROCA-LFMQRFFJSA-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)OS(=O)(=O)O)C(=O)N(C(=O)[C@H](Cc3ccc(cc3)[N+](=O)[O-])N)C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc4ccc(cc4)O)N)NC(=O)[C@H](Cc5ccc(cc5)O)N