Hepcidin
(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-4-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-4-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Molecular Identity
Hepcidin
(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-4-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-4-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
PubChem CID: 91864521
2D Structure
Properties
C113H170N34O31S9
Molecular Formula
2789.40
Molecular Weight
g/mol
2788.0291
Exact Mass
Da
-10.9
XLogP
Drug-like (Lipinski: < 5)
1250
TPSA
May have limited oral absorption
36
H-Bond Donors
46
H-Bond Acceptors
5940
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(16)
HepcidinHepcidin-25 (human)1356390-47-0hepcidin-25XUH21YGS7OAsp-thr-his-phe-pro-ile-cys-ile-phe-cys-cys-gly-cys-cys-his-arg-ser-lys-cys-gly-met-cys-cys-lys-thr (7->23),(10->13),(11->19),(14->22)-tetrakis(disulfide)Therapeutic HepcidinRefChem:1086398UNII-XUH21YGS7OHepcidin [USAN]WHO 11354Hepcidin-25 (human) trifluoroacetate saltGLXC-24150FH109655H-Asp-Thr-His-Phe-Pro-Ile-Cys(1)-Ile-Phe-Cys(2)-Cys(3)-Gly-Cys(2)-Cys(4)-His-Arg-Ser-Lys-Cys(3)-Gly-Met-Cys(4)-Cys(1)-Lys-Thr-OH
Data from PubChem (NCBI)
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