Alpha-Factor

Chemical Information
| CAS Number | 59401-28-4 |
| PubChem CID | 71299812 |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
| Molecular Formula | C82H114N20O17S |
| Molecular Weight | 1684.0 |
| XLogP | -0.7 |
| Topological Polar Surface Area | 613 |
| Hydrogen Bond Donor Count | 19 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 48 |
| Heavy Atom Count | 120 |
| Formal Charge | 0 |
| Complexity | 3480 |
| Property | Value |
|---|---|
| Molecular Weight | 1684.0 |
| XLogP3 | -0.7 |
| Hydrogen Bond Donor Count | 19 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 48 |
| Exact Mass | 1682.83915342 |
| Monoisotopic Mass | 1682.83915342 |
| Topological Polar Surface Area | 613 Ų |
| Heavy Atom Count | 120 |
| Formal Charge | 0 |
| Complexity | 3480 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 12 |
| 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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