Basic information
- CAS
122299-14-3- Standard SMILES
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)O- InChIKey
KAMOTFUFDACEHJ-ZZEGJQGJSA-N- Molecular formula
- C18H33N5O7
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.23799841
Names & identifiers
- Preferred name
- Eglin c (60-63)
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
- English name
- eglin c (60-63)
- Molecular formula
- C18H33N5O7
- Molecular weight
- 431.48
Names & synonyms
Eglin c (60-63)122299-14-3Thr-asn-val-val-OHDTXSID00153565RefChem:136358DTXCID9076056(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acidorb1738282L-Threonyl-L-asparaginyl-L-valyl-L-valineL-Valine, N-(N-(N2-L-threonyl-L-asparaginyl)-L-valyl)-
Database identifiers
- CAS
122299-14-3- PubChem CID
- 129694
- DTXSID
DTXSID00153565- Nikkaji
- J345.712E
Properties
Computed structural properties
- XLogP
- -4.1
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 653
Physicochemical properties
- Boiling point
- 891.193 · 891.193±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.341 · 3.341±0.10(predicted)
Chemistry & industry
Applications
DescriptionEglin c (60-63) is a sequence of a peptide that has been studied for its inhibitory activity towards human leukocyte elastase, cathepsin G, porcine pancreatic elastase and alpha-chymotrypsin.
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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