Tetragastrin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 29
Total Number of Articles : 39
PubChem 446569
Molecular Formula

C29H36N6O6S

SMILES

CSCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N

InChI

InChI=1S/C29H36N6O6S/c1-42-12-11-22(33-27(39)20(30)14-18-16-32-21-10-6-5-9-19(18)21)28(40)35-24(15-25(36)37)29(41)34-23(26(31)38)13-17-7-3-2-4-8-17/h2-10,16,20,22-24,32H,11-15,30H2,1H3,(H2,31,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)/t20-,22-,23-,24-/m0/s1

synonyms
  • tetragastrin
  • Gastrin tetrapeptide
  • 1947-37-1
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Properties
Property Value
MW 596.7 g/mol
HBD 7
HBA 8
Rotatable Bond Count 16
Exact Mass 596.24170406 g/mol
Monoisotopic Mass 596.24170406 g/mol
Heavy Atom Count 42
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 948
xlogp -2.1
Topological Polar Surface Area 235