Mdl 27399
Basic information
- CAS
131374-22-6- Standard SMILES
COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC- InChIKey
IHIOQWRKKWYCIQ-ZULIPRJHSA-N- Molecular formula
- C26H36N4O8
- Average molar mass
- 532.6 g/mol
- Monoisotopic mass
- 532.25331412
Overview
structure given in first source
Names & identifiers
- Preferred name
- Mdl 27399
- IUPAC
- methyl 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate
- English name
- MDL 27399
- Molecular formula
- C27H36N4O9
- Molecular weight
- 560.6
Names & synonyms
Mdl 27399131374-22-6Mdl 27,399DTXSID30157016MDL-27399L-Phenylalanine, N-(1-(N-(N-(4-methoxy-1,4-dioxobutyl)-L-alanyl)-L-alanyl)-L-prolyl)-, methyl esterRefChem:156133DTXCID5079507methyl 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoateL-Phenylalanine, N-[1-[N-[N-(4-methoxy-1,4-dioxobutyl)-L-alanyl]-L-alanyl]-L-prolyl]-, methyl ester (9CI)Meo-succ-ala-ala-pro-phe-cooch3orb1701951
Show more names
AKOS040747141DA-75385HY-123753CS-0085545T25783Methyl N-(4-methoxy-4-oxobutanoyl)-L-alanyl-L-alanyl-L-prolyl-L-phenylalaninate
Database identifiers
- CAS
131374-22-6
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 873
Chemistry & industry
Applications
DescriptionMDL 27399 inhibits human neutrophil cathepsin G.
UsesMDL 27399 is an inhibitor of human neutrophil cathepsin G (Ki = 7 μM). MDL 27399 can be used for research of inflammatory diseases[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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