AC187

Chemical Information
a selective amylin antagonist; MW 2890; amino acid sequence given in first source
| CAS Number | 151804-77-2 |
| PubChem CID | 16133792 |
| IUPAC Name | (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid |
| Molecular Formula | C127H205N37O40 |
| Molecular Weight | 2890.2 |
| XLogP | -13.2 |
| Topological Polar Surface Area | 1280 |
| Hydrogen Bond Donor Count | 44 |
| Hydrogen Bond Acceptor Count | 44 |
| Rotatable Bond Count | 96 |
| Heavy Atom Count | 204 |
| Formal Charge | 0 |
| Complexity | 6550 |
| Property | Value |
|---|---|
| Molecular Weight | 2890.2 |
| XLogP3 | -13.2 |
| Hydrogen Bond Donor Count | 44 |
| Hydrogen Bond Acceptor Count | 44 |
| Rotatable Bond Count | 96 |
| Exact Mass | 2889.5178093 |
| Monoisotopic Mass | 2888.5144545 |
| Topological Polar Surface Area | 1280 Ų |
| Heavy Atom Count | 204 |
| Formal Charge | 0 |
| Complexity | 6550 |
| 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 |
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