I-Tyr-Gly-Nle(28,31)-Cholecystokinin (26-33)
[CAS# 118688-24-7]

Identification

• Name: I-Tyr-Gly-Nle(28,31)-Cholecystokinin (26-33)
• Synonyms: Cck (26-33), I-Tyr-Gly-Nle(28,31)-; Cck-Itgn; Cholecystokinin (26-33), I-Tyr-Gly-Nle(28,31)-
• Molecular Formula: C₆₂H₇₇IN₁₂O₁₉S
• Molecular Weight: 1453.32
• CAS Registry Number: 118688-24-7
• SMILES: [C@H](N)(C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@@H](CC1=C[NH]C2=C1C=CC=C2)C(=O)N[C@H](C(N[C@@H](CC(=O)O)C(N[C@H](C(=O)N)CC3=CC=CC=C3)=O)=O)CCCC)=O)=O)CCCC)=O)CC4=CC=C(C=C4)O[S](O)(=O)=O)=O)CC(=O)O)=O)=O)CC5=CC=C(C(=C5)I)O
• InChI: 1S/C62H77IN12O19S/c1-3-5-15-43(71-59(87)46(27-35-18-21-38(22-19-35)94-95(91,92)93)74-61(89)48(29-53(79)80)70-51(77)32-67-56(84)41(64)25-36-20-23-50(76)40(63)24-36)57(85)68-33-52(78)69-47(28-37-31-66-42-17-11-10-14-39(37)42)60(88)72-44(16-6-4-2)58(86)75-49(30-54(81)82)62(90)73-45(55(65)83)26-34-12-8-7-9-13-34/h7-14,17-24,31,41,43-49,66,76H,3-6,15-16,25-30,32-33,64H2,1-2H3,(H2,65,83)(H,67,84)(H,68,85)(H,69,78)(H,70,77)(H,71,87)(H,72,88)(H,73,90)(H,74,89)(H,75,86)(H,79,80)(H,81,82)(H,91,92,93)/t41-,43+,44+,45+,46+,47+,48+,49+/m1/s1
• InChIKey: ODPHDJYCCQFLCA-ZRJFNEKDSA-N