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Glycine-pentagastrin

CAT: 0931-T31958-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T31958-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5915-71-9
Target
Others
Related Pathways
Others
Bioactivity
Glycine-pentagastrin can enhance gastric mucosal defence mechanisms against acid and protect the gastric mucosa from experimental injury.
Smiles
C([C@@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC1=CC=CC=C1)C(N)=O)=O)CC(O)=O)=O)CCSC)=O)NC(CNC(OC(C)(C)C)=O)=O)C=2C=3C(NC2)=CC=CC3
Molecular Formula
C36H47N7O9S
Molecular Weight
753.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

tertiary-Butyloxycarbonyl-glycyl-tryptophyl-methionyl-aspartyl-phenylalaninamide
CAS Number5915-71-9
PubChem CID151285
IUPAC Name(3S)-3-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC36H47N7O9S
Molecular Weight753.9
XLogP-0.4
Topological Polar Surface Area276
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Heavy Atom Count53
Formal Charge0
Complexity1290
SMILES
CC(C)(C)OC(=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CN
InChI
InChI=1S/C36H47N7O9S/c1-36(2,3)52-35(51)43-34(50)26(16-21-10-6-5-7-11-21)41-33(49)28(18-30(45)46)42-31(47)25(14-15-53-4)40-32(48)27(39-29(44)19-37)17-22-20-38-24-13-9-8-12-23(22)24/h5-13,20,25-28,38H,14-19,37H2,1-4H3,(H,39,44)(H,40,48)(H,41,49)(H,42,47)(H,45,46)(H,43,50,51)/t25-,26-,27-,28-/m0/s1
InChIKey
JETVRIIJIQMWCL-LJWNLINESA-N
Chemical Structure
2D Structure
2D structure of tertiary-Butyloxycarbonyl-glycyl-tryptophyl-methionyl-aspartyl-phenylalaninamide
CAS: 5915-71-9
CID: 151285
Formula: C36H47N7O9S
MW: 753.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight753.9
XLogP3-0.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Exact Mass753.31559728
Monoisotopic Mass753.31559728
Topological Polar Surface Area276 Ų
Heavy Atom Count53
Formal Charge0
Complexity1290
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

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Alternative Products

CatalogName
GTR19194453-01Glycine-pentagastrin
4002096.0100Pentagastrin

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