β-Endorphin, human

Chemical Information
Beta Endorphin is an endogenous opioid-like substance found in the hypothalamus and pituitary gland that produces a sense of well-being, euphoria, and can reduce physical and emotional pain.
| CAS Number | 61214-51-5 |
| PubChem CID | 16132316 |
| IUPAC Name | (2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]pentanedioic acid |
| Molecular Formula | C158H251N39O46S |
| Molecular Weight | 3465.0 |
| XLogP | -13.9 |
| Topological Polar Surface Area | 1430 |
| Hydrogen Bond Donor Count | 48 |
| Hydrogen Bond Acceptor Count | 53 |
| Rotatable Bond Count | 118 |
| Heavy Atom Count | 244 |
| Formal Charge | 0 |
| Complexity | 7850 |
| Property | Value |
|---|---|
| Molecular Weight | 3465.0 |
| XLogP3 | -13.9 |
| Hydrogen Bond Donor Count | 48 |
| Hydrogen Bond Acceptor Count | 53 |
| Rotatable Bond Count | 118 |
| Exact Mass | 3463.8254677 |
| Monoisotopic Mass | 3462.8221128 |
| Topological Polar Surface Area | 1430 Ų |
| Heavy Atom Count | 244 |
| Formal Charge | 0 |
| Complexity | 7850 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 33 |
| 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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