25-Tyr-28,31-Nle-Cholecystokinin (25-33)
[CAS# 132032-04-3]

Identification

• Name: 25-Tyr-28,31-Nle-Cholecystokinin (25-33)
• Synonyms: Caerulein, 1-De(5-Oxo-L-Proline)-2-D-Tyrosine-5-L-Norleucine-8-L-Norleucine-; Cck (25-33), Tyr(25)-Nle(28,31)-; Cholecystokinin (25-33), Tyr(25)-Nle(28,31)-
• Molecular Formula: C₆₀H₇₅N₁₁O₁₈S
• Molecular Weight: 1270.38
• CAS Registry Number: 132032-04-3
• SMILES: [C@H](N)(C(N[C@@H](CC(O)=O)C(N[C@H](C(N[C@H](C(NCC(N[C@@H](CC1=C[NH]C2=C1C=CC=C2)C(N[C@H](C(N[C@H](C(N[C@@H](CC3=CC=CC=C3)C(=O)N)=O)CC(=O)O)=O)CCCC)=O)=O)=O)CCCC)=O)CC4=CC=C(C=C4)O[S](O)(=O)=O)=O)=O)CC5=CC=C(O)C=C5
• InChI: 1S/C60H75N11O18S/c1-3-5-15-43(66-57(82)46(28-36-20-24-39(25-21-36)89-90(86,87)88)70-60(85)48(30-51(74)75)69-54(79)41(61)26-35-18-22-38(72)23-19-35)55(80)64-33-50(73)65-47(29-37-32-63-42-17-11-10-14-40(37)42)58(83)67-44(16-6-4-2)56(81)71-49(31-52(76)77)59(84)68-45(53(62)78)27-34-12-8-7-9-13-34/h7-14,17-25,32,41,43-49,63,72H,3-6,15-16,26-31,33,61H2,1-2H3,(H2,62,78)(H,64,80)(H,65,73)(H,66,82)(H,67,83)(H,68,84)(H,69,79)(H,70,85)(H,71,81)(H,74,75)(H,76,77)(H,86,87,88)/t41-,43+,44+,45+,46+,47+,48+,49+/m1/s1
• InChIKey: JCAIPWWBLRVCAU-ZRJFNEKDSA-N

Properties

• Density: 1.39g/cm³ (Cal.)