Pentagastrin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 184
Total Number of Articles : 557
PubChem 9853654
Molecular Formula

C37H49N7O9S

SMILES

CC(C)(C)OC(=O)NCCC(=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

InChI

InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1

synonyms
  • pentagastrin
  • 5534-95-2
  • Peptavlon
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Properties
Property Value
MW 767.9 g/mol
HBD 8
HBA 10
Rotatable Bond Count 22
Exact Mass 767.33124734 g/mol
Monoisotopic Mass 767.33124734 g/mol
Heavy Atom Count 54
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 1310
xlogp 1.5
Topological Polar Surface Area 276