β-Endorphin (6-31), human

Chemical Information
| CAS Number | 77761-27-4 |
| PubChem CID | 16142384 |
| 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-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 | C131H218N34O40 |
| Molecular Weight | 2909.3 |
| XLogP | -15.3 |
| Topological Polar Surface Area | 1240 |
| Hydrogen Bond Donor Count | 42 |
| Hydrogen Bond Acceptor Count | 46 |
| Rotatable Bond Count | 101 |
| Heavy Atom Count | 205 |
| Formal Charge | 0 |
| Complexity | 6440 |
| Property | Value |
|---|---|
| Molecular Weight | 2909.3 |
| XLogP3 | -15.3 |
| Hydrogen Bond Donor Count | 42 |
| Hydrogen Bond Acceptor Count | 46 |
| Rotatable Bond Count | 101 |
| Exact Mass | 2908.6103127 |
| Monoisotopic Mass | 2907.6069579 |
| Topological Polar Surface Area | 1240 Ų |
| Heavy Atom Count | 205 |
| Formal Charge | 0 |
| Complexity | 6440 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 30 |
| 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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