cholecystokinin 8

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 62
Total Number of Articles : 58
PubChem 9833444
Molecular Formula

C49H62N10O16S3

SMILES

CSCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1

synonyms
  • Sincalide
  • 25126-32-3
  • CCK-8
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Properties
Property Value
MW 1143.3 g/mol
HBD 13
HBA 19
Rotatable Bond Count 33
Exact Mass 1142.35073945 g/mol
Monoisotopic Mass 1142.35073945 g/mol
Heavy Atom Count 78
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 2180
xlogp -2.6
Topological Polar Surface Area 486