β-Interleukin I (163-171), human

Chemical Information
nonapeptide which has in vivo immunostimulating activity
| CAS Number | 106021-96-9 |
| PubChem CID | 123872 |
| IUPAC Name | (2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid |
| Molecular Formula | C39H64N12O19 |
| Molecular Weight | 1005.0 |
| XLogP | -12.6 |
| Topological Polar Surface Area | 540 |
| Hydrogen Bond Donor Count | 17 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 36 |
| Heavy Atom Count | 70 |
| Formal Charge | 0 |
| Complexity | 1920 |
| Property | Value |
|---|---|
| Molecular Weight | 1005.0 |
| XLogP3 | -12.6 |
| Hydrogen Bond Donor Count | 17 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 36 |
| Exact Mass | 1004.44106786 |
| Monoisotopic Mass | 1004.44106786 |
| Topological Polar Surface Area | 540 Ų |
| Heavy Atom Count | 70 |
| Formal Charge | 0 |
| Complexity | 1920 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| 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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