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Amogastrin

CAT: 0931-T30022-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T30022-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16870-37-4
Target
Prostaglandin Receptor, Others
Related Pathways
Immunology/Inflammation, GPCR/G Protein, Others
Bioactivity
Amogastrin can be used in conjunction with pertechnetate for gastric scintigraphy.
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(OC(CC)(C)C)=O)C=2C=3C(NC2)=CC=CC3
Molecular Formula
C35H46N6O8S
Molecular Weight
710.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Amogastrin

Amogastrin is an oligopeptide.

CAS Number16870-37-4
PubChem CID71884
IUPAC Name(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-methylbutan-2-yloxycarbonylamino)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Molecular FormulaC35H46N6O8S
Molecular Weight710.8
XLogP2.8
Topological Polar Surface Area247
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Heavy Atom Count50
Formal Charge0
Complexity1180
SMILES
CCC(C)(C)OC(=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/C35H46N6O8S/c1-5-35(2,3)49-34(48)41-27(18-22-20-37-24-14-10-9-13-23(22)24)32(46)38-25(15-16-50-4)31(45)40-28(19-29(42)43)33(47)39-26(30(36)44)17-21-11-7-6-8-12-21/h6-14,20,25-28,37H,5,15-19H2,1-4H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t25-,26-,27-,28-/m0/s1
InChIKey
CAVZBWFUMSXZFB-LJWNLINESA-N
Chemical Structure
2D Structure
2D structure of Amogastrin
CAS: 16870-37-4
CID: 71884
Formula: C35H46N6O8S
MW: 710.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight710.8
XLogP32.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Exact Mass710.30978362
Monoisotopic Mass710.30978362
Topological Polar Surface Area247 Ų
Heavy Atom Count50
Formal Charge0
Complexity1180
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
HY-124192Amogastrin

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