Cholecystokinin (26-33), I-Tyr-Gly-(Nle(28,31),4-nitro-Phe(33))
[CAS# 118643-58-6]

Identification

• Name: Cholecystokinin (26-33), I-Tyr-Gly-(Nle(28,31),4-nitro-Phe(33))
• Synonyms: Cholecystokinin (26-33), I-Tyr-Gly-(Nle(28,31),4-No2-Phe(33)); 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)
• Molecular Formula: C₆₂H₇₆IN₁₃O₂₁S
• Molecular Weight: 1498.32
• CAS Registry Number: 118643-58-6
• SMILES: [C@H](C(=O)N(C([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)CCCC)=O)=O)CC2=C[NH]C3=CC=CC=C23)=O)CCCC)=O)CC(O[S](=O)(=O)O)=O)=O)C([C@@H](NC(CNC([C@H](N)CC4=CC(=C(O)C=C4)I)=O)=O)CC(=O)O)=O)(N)CC5=CC=C(C=C5)[N+](=O)[O-]
• 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

Properties

• Density: 1.529g/cm³ (Cal.)