Tyr-Gly-(Nle(28,31)Cholecystokinin (26-33) 4-nitro-Phe(33))
[CAS# 115136-01-1]

Identification

• Name: Tyr-Gly-(Nle(28,31)Cholecystokinin (26-33) 4-nitro-Phe(33))
• Synonyms: Tyr-Gly-(28,31-Nle-33-P-No2-Phe)-Cholecystokinin (26-33); Cck-Tgnno2p; Cholecystokinin (26-33), Tyr-Gly-(Nle(28,31),4-No2-Phe(33))
• Molecular Formula: C₆₂H₇₇N₁₃O₂₁S
• Molecular Weight: 1372.42
• CAS Registry Number: 115136-01-1
• 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)=O)=O)CC(=O)O)=O)(N)CC5=CC=C(C=C5)[N+](=O)[O-]
• InChI: 1S/C62H77N13O21S/c1-3-5-10-46(71-56(84)43(64)26-36-17-23-40(77)24-18-36)57(85)68-33-51(78)69-48(28-37-31-66-45-12-8-7-9-41(37)45)59(87)72-47(11-6-4-2)58(86)73-50(30-54(82)96-97(93,94)95)62(90)74(60(88)44(65)27-34-13-19-38(20-14-34)75(91)92)61(89)49(29-53(80)81)70-52(79)32-67-55(83)42(63)25-35-15-21-39(76)22-16-35/h7-9,12-24,31,42-44,46-50,66,76-77H,3-6,10-11,25-30,32-33,63-65H2,1-2H3,(H,67,83)(H,68,85)(H,69,78)(H,70,79)(H,71,84)(H,72,87)(H,73,86)(H,80,81)(H,93,94,95)/t42-,43+,44+,46+,47+,48+,49+,50+/m1/s1
• InChIKey: DHRNLWXNGMROCA-LFMQRFFJSA-N

Properties

• Density: 1.433g/cm³ (Cal.)