Tyr-Gly-Nle(28,31) Phenethyl Ester-Cck (26-32)
[CAS# 119400-92-9]

Identification

• Name: Tyr-Gly-Nle(28,31) Phenethyl Ester-Cck (26-32)
• Synonyms: Cck-Ope; Cholecystokinin (26-32), Tyr-Gly-Nle(28,31) Phenethyl Ester-; Cholecystokinin (26-32), Tyrosyl-Glycyl-Norleucine(28,31) Phenethyl Ester-
• Molecular Formula: C₆₁H₇₆N₁₀O₁₉S
• Molecular Weight: 1285.39
• CAS Registry Number: 119400-92-9
• SMILES: [C@H](CC(O)=O)(C(=O)OCCC1=CC=CC=C1)NC([C@@H](NC(=O)[C@H](CC2=C[NH]C3=C2C=CC=C3)NC(CNC(=O)[C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](CC4=CC=C(C=C4)O)N)=O)=O)CC(=O)O)=O)CC5=CC=C(C=C5)O[S](=O)(=O)O)=O)CCCC)=O)CCCC)=O
• InChI: 1S/C61H76N10O19S/c1-3-5-15-45(68-58(82)47(29-38-20-24-41(25-21-38)90-91(86,87)88)70-60(84)49(31-53(75)76)67-51(73)34-64-55(79)43(62)28-37-18-22-40(72)23-19-37)56(80)65-35-52(74)66-48(30-39-33-63-44-17-11-10-14-42(39)44)59(83)69-46(16-6-4-2)57(81)71-50(32-54(77)78)61(85)89-27-26-36-12-8-7-9-13-36/h7-14,17-25,33,43,45-50,63,72H,3-6,15-16,26-32,34-35,62H2,1-2H3,(H,64,79)(H,65,80)(H,66,74)(H,67,73)(H,68,82)(H,69,83)(H,70,84)(H,71,81)(H,75,76)(H,77,78)(H,86,87,88)/t43-,45+,46+,47+,48+,49+,50+/m1/s1
• InChIKey: HWCNOCJUNZSGBS-VDNFRELWSA-N

Properties

• Density: 1.378g/cm³ (Cal.)