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Substance Name: Cholecystokinin (26-33), I-tyr-gly-(nle(28,31),4-No2-phe(33))
RN: 118643-58-6
InChIKey: KJAAZOTXSFPYSJ-LZYQRXKOSA-N

Molecular Weight

  • 1498.3184
 
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Names and Synonyms

Name of Substance

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

Synonyms

  • Cck-itgnno2P
  • Cholecystokinin (26-33), iodotyrosyl-glycyl-(norleucyl(28,31))-para-No2-phenylalanyl(33)
  • I-Tyr-gly-(28,31-nle-33-p-No2-phe)-cholecystokinin (26-33)

Registry Numbers

CAS Registry Number

  • 118643-58-6

System Generated Number

  • 0118643586

Structure Descriptors

InChI

1S/C62H76IN13O21S/c1-3-5-10-45(72-56(85)42(65)24-34-15-20-38(77)21-16-34)57(86)69-32-51(79)70-47(27-36-30-67-44-12-8-7-9-39(36)44)59(88)73-46(11-6-4-2)58(87)74-49(29-54(83)97-98(94,95)96)62(91)75(60(89)43(66)25-33-13-18-37(19-14-33)76(92)93)61(90)48(28-53(81)82)71-52(80)31-68-55(84)41(64)26-35-17-22-50(78)40(63)23-35/h7-9,12-23,30,41-43,45-49,67,77-78H,3-6,10-11,24-29,31-32,64-66H2,1-2H3,(H,68,84)(H,69,86)(H,70,79)(H,71,80)(H,72,85)(H,73,88)(H,74,87)(H,81,82)(H,94,95,96)/t41-,42+,43+,45+,46+,47+,48+,49+/m1/s1

InChIKey

KJAAZOTXSFPYSJ-LZYQRXKOSA-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(c(c4)I)O)N)NC(=O)[C@H](Cc5ccc(cc5)O)N