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Pentagastrin

CAT: 1410-M18800-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M18800-06Size:100 mg
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Description
Pentagastrin is a synthetic polypeptide that has effects like gastrin when given parenterally, which can cause the secretion and synthesis of salivary proteins.
CAS Number
5534-95-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
767.89
Molecular Formula
C37H49N7O9S
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Pentagastrin

Pentagastrin is an organic molecular entity.

CAS Number5534-95-2
PubChem CID9853654
IUPAC Name(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Molecular FormulaC37H49N7O9S
Molecular Weight767.9
XLogP1.5
Topological Polar Surface Area276
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count22
Heavy Atom Count54
Formal Charge0
Complexity1310
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
InChIKey
NEYNJQRKHLUJRU-DZUOILHNSA-N
Chemical Structure
2D Structure
2D structure of Pentagastrin
CAS: 5534-95-2
CID: 9853654
Formula: C37H49N7O9S
MW: 767.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight767.9
XLogP31.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count22
Exact Mass767.33124734
Monoisotopic Mass767.33124734
Topological Polar Surface Area276 Ų
Heavy Atom Count54
Formal Charge0
Complexity1310
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
4002096.0100Pentagastrin

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