Hepcidin-25 peptide

Chemical Information
See also: Hepcidin (preferred).
| CAS Number | 342809-17-0 |
| PubChem CID | 133065673 |
| IUPAC Name | (3S)-3-amino-4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3S)-1-[[(1R,6R,12R,17R,20S,23S,26R,31R,34R,39R,42S,45S,48S,51S,59S)-51-(4-aminobutyl)-31-[[(2S)-6-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxohexan-2-yl]carbamoyl]-20-benzyl-23-[(2S)-butan-2-yl]-45-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-42-(1H-imidazol-5-ylmethyl)-59-(2-methylsulfanylethyl)-7,10,19,22,25,33,40,43,46,49,52,54,57,60,63,64-hexadecaoxo-3,4,14,15,28,29,36,37-octathia-8,11,18,21,24,32,41,44,47,50,53,55,58,61,62,65-hexadecazatetracyclo[32.19.8.26,17.212,39]pentahexacontan-26-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid |
| Molecular Formula | C113H170N34O31S9 |
| Molecular Weight | 2789.4 |
| XLogP | -10.9 |
| Topological Polar Surface Area | 1250 |
| Hydrogen Bond Donor Count | 36 |
| Hydrogen Bond Acceptor Count | 46 |
| Rotatable Bond Count | 49 |
| Heavy Atom Count | 187 |
| Formal Charge | 0 |
| Complexity | 5940 |
| Property | Value |
|---|---|
| Molecular Weight | 2789.4 |
| XLogP3 | -10.9 |
| Hydrogen Bond Donor Count | 36 |
| Hydrogen Bond Acceptor Count | 46 |
| Rotatable Bond Count | 49 |
| Exact Mass | 2788.0291202 |
| Monoisotopic Mass | 2787.0257653 |
| Topological Polar Surface Area | 1250 Ų |
| Heavy Atom Count | 187 |
| Formal Charge | 0 |
| Complexity | 5940 |
| 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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