Basic information
- CAS
342790-22-1- Standard SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)CC)CSSC[C@@H]2NC(=O)CNC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H]4CSSC[C@H](NC2=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N4)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)[C@@H](C)O)CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N3- InChIKey
JUTMFNVVFBPLHR-BDBOULOUSA-N- Molecular formula
- C99H151N29O25S9
- Average molar mass
- 2,436 g/mol
- Monoisotopic mass
- 2,433.892232
Names & identifiers
- Preferred name
- Hepcidin-22 (human) trifluoroacetate salt
- IUPAC
- (2S,3R)-2-[[(2S)-6-amino-2-[[(1R,4R,7S,10S,13S,16S,19R,25S,28R,31R,36R,39S,42S,45R,55R)-16-(4-aminobutyl)-45-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-39-benzyl-42-[(2S)-butan-2-yl]-10-(3-carbamimidamidopropyl)-13-(hydroxymethyl)-7-(1H-imidazol-5-ylmethyl)-25-(2-methylsulfanylethyl)-2,5,8,11,14,17,20,23,26,29,38,41,44,51,54,61-hexadecaoxo-33,34,47,48,57,58,63,64-octathia-3,6,9,12,15,18,21,24,27,30,37,40,43,50,53,60-hexadecazatetracyclo[26.21.10.44,19.236,55]pentahexacontane-31-carbonyl]amino]hexanoyl]amino]-3-hydroxybutanoic acid
- English name
- Hepcidin-22 (human)
- Molecular formula
- C99H151N29O25S9
- Molecular weight
- 2436.04
Names & synonyms
342790-22-1Hepcidin-22 (human) trifluoroacetate saltFH110067H-Phe-Pro-Ile-Cys-Ile-Phe-Cys-Cys-Gly-Cys-Cys-His-Arg-Ser-Lys-Cys-Gly-Met-Cys-Cys-Lys-Thr- OH trifluoroacetate saltHepcidin-22 (human)L-Threonine, L-phenylalanyl-L-prolyl-L-isoleucyl-L-cysteinyl-L-isoleucyl-L-phenylalanyl-L-cysteinyl-L-cysteinylglycyl-L-cysteinyl-L-cysteinyl-L-histidyl-L-arginyl-L-seryl-L-lysyl-L-cysteinylglycyl-L-methionyl-L-cysteinyl-L-cysteinyl-L-lysyl-, cyclic (4→10),(7→20),(8→19),(11→16)-tetrakis(disulfide)
Database identifiers
- CAS
342790-22-1- PubChem CID
- 131852663
Properties
Computed structural properties
- XLogP
- -6.1
- Topological polar surface area
- 1,080 Ų
- Hydrogen bond donors
- 30
- Hydrogen bond acceptors
- 39
- Rotatable bonds
- 38
- Heavy atoms
- 162
- Formal charge
- 0
- Complexity
- 4,980
Physicochemical properties
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- Sequence
- H-Phe-Pro-Ile-Cys-Ile-Phe-Cys-Cys-Gly-Cys-Cys-His-Arg-Ser-Lys-Cys-Gly-Met-Cys-Cys-Lys-Thr-OH(Disulfide bonds, air oxidized)
Chemistry & industry
Applications
UsesHepcidin-22 (human) is an inactive degradation product of hepcidin-25 that is present in the urine[1].
Suppliers24 total
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
上海鸿肽生物科技有限公司15318089928 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
太原百利恒康生物技术有限公司19135651983 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
康明永瑞生物科技（苏州）有限公司17751201929; 17751201929 · [email protected]
杭州贝普泰生物医药有限公司0571-85350119 13305819357 · [email protected]
杭州固拓生物科技有限公司0571-88211921 17357109671 · [email protected]
南京肽谷生物科技有限公司18115476705 · [email protected]
成都云希化工有限公司+86-17380623303 · [email protected]
湖北摩科生物科技有限公司18274848843 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…