1-L-Asparticacid-2-L-arginine-5-L-methionine-Caerulein
[CAS# 25842-57-3]

Identification

• Name: 1-L-Asparticacid-2-L-arginine-5-L-methionine-Caerulein
• Synonyms: Cck-10; Cholecystokinin 10 C-Terminal Fragment; Cholecystokinin-10 C-Terminal Fragment
• Molecular Formula: C₅₉H₇₉N₁₅O₂₀S₃
• Molecular Weight: 1414.54
• CAS Registry Number: 25842-57-3
• SMILES: [C@@H](CC(=O)O)(N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](C(N[C@@H](CC1=CC=C(C=C1)O[S](O)(=O)=O)C(N[C@H](C(NCC(N[C@@H](CC2=C[NH]C3=C2C=CC=C3)C(=O)N[C@@H](C(N[C@H](C(=O)N[C@H](C(=O)N)CC4=CC=CC=C4)CC(=O)O)=O)CCSC)=O)=O)CCSC)=O)=O)CC(O)=O)=O)=O
• InChI: 1S/C59H79N15O20S3/c1-95-21-18-39(69-55(87)42(24-32-14-16-34(17-15-32)94-97(91,92)93)72-58(90)45(28-49(80)81)73-53(85)38(13-8-20-64-59(62)63)68-51(83)36(60)26-47(76)77)52(84)66-30-46(75)67-43(25-33-29-65-37-12-7-6-11-35(33)37)56(88)70-40(19-22-96-2)54(86)74-44(27-48(78)79)57(89)71-41(50(61)82)23-31-9-4-3-5-10-31/h3-7,9-12,14-17,29,36,38-45,65H,8,13,18-28,30,60H2,1-2H3,(H2,61,82)(H,66,84)(H,67,75)(H,68,83)(H,69,87)(H,70,88)(H,71,89)(H,72,90)(H,73,85)(H,74,86)(H,76,77)(H,78,79)(H,80,81)(H4,62,63,64)(H,91,92,93)/t36-,38-,39-,40+,41-,42-,43-,44-,45+/m0/s1
• InChIKey: ZIZJYYVBPLIXGF-KDLZIFBQSA-N

Properties

• Density: 1.55g/cm³ (Cal.)