Exendin (9-39) amide

Chemical Information
Avexitide is under investigation in clinical trial NCT02996812 (Evaluation of Single Ascending Doses of Subcutaneous Exendin 9-39 in Patients With Post-Bariatric Hypoglycemia).
| CAS Number | 133514-43-9 |
| PubChem CID | 16198321 |
| IUPAC Name | (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[2-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid |
| Molecular Formula | C149H234N40O47S |
| Molecular Weight | 3369.8 |
| XLogP | -16.7 |
| Topological Polar Surface Area | 1420 |
| Hydrogen Bond Donor Count | 45 |
| Hydrogen Bond Acceptor Count | 52 |
| Rotatable Bond Count | 109 |
| Heavy Atom Count | 237 |
| Formal Charge | 0 |
| Complexity | 8000 |
| Property | Value |
|---|---|
| Molecular Weight | 3369.8 |
| XLogP3 | -16.7 |
| Hydrogen Bond Donor Count | 45 |
| Hydrogen Bond Acceptor Count | 52 |
| Rotatable Bond Count | 109 |
| Exact Mass | 3368.6904307 |
| Monoisotopic Mass | 3367.6870759 |
| Topological Polar Surface Area | 1420 Ų |
| Heavy Atom Count | 237 |
| Formal Charge | 0 |
| Complexity | 8000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 29 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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