Colivelin

Chemical Information
| CAS Number | 867021-83-8 |
| PubChem CID | 90477169 |
| IUPAC Name | (2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid |
| Molecular Formula | C119H206N32O35 |
| Molecular Weight | 2645.1 |
| XLogP | -4.1 |
| Topological Polar Surface Area | 1040 |
| Hydrogen Bond Donor Count | 36 |
| Hydrogen Bond Acceptor Count | 38 |
| Rotatable Bond Count | 85 |
| Heavy Atom Count | 186 |
| Formal Charge | 0 |
| Complexity | 5960 |
| Property | Value |
|---|---|
| Molecular Weight | 2645.1 |
| XLogP3 | -4.1 |
| Hydrogen Bond Donor Count | 36 |
| Hydrogen Bond Acceptor Count | 38 |
| Rotatable Bond Count | 85 |
| Exact Mass | 2644.5356912 |
| Monoisotopic Mass | 2643.5323364 |
| Topological Polar Surface Area | 1040 Ų |
| Heavy Atom Count | 186 |
| Formal Charge | 0 |
| Complexity | 5960 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 27 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Alternative Products
| Catalog | Name |
|---|---|
| B7546-.5 | Colivelin |
| MBS3847256-01 | Colivelin TFA |
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