Succinyl-alanylalanyl-prolyl-phenylalanine chloromethylketone
Basic information
- CAS
156616-24-9- Standard SMILES
C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](C)C(=O)NC(=O)[C@@H]1CCCN1C(Cc1ccccc1)C(=O)CCl- InChIKey
LLZHCFIJOPMUTQ-KUORQNNRSA-N- Molecular formula
- C25H33ClN4O7
- Average molar mass
- 537 g/mol
- Monoisotopic mass
- 536.2037771
Overview
inhibitor of nuclear scaffold protease (NS protease)
Names & identifiers
- Preferred name
- Succinyl-alanylalanyl-prolyl-phenylalanine chloromethylketone
- IUPAC
- 4-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-chloro-3-oxo-1-phenylbutan-2-yl)pyrrolidine-2-carbonyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
- English name
- succinyl-alanylalanyl-prolyl-phenylalanine chloromethylketone
- Molecular formula
- C25H33ClN4O7
- Molecular weight
- 537.01
Names & synonyms
AapfcmkSuccinyl-aapf-cmk156616-24-9Succinyl-alanylalanyl-prolyl-phenylalanine chloromethylketoneSuccinyl-aapf-chloromethylketonesuccinyl-Ala-Ala-Pro-Phe-chloromethylketoneRefChem:186366DTXSID80935487N-(3-Carboxy-1-oxopropyl)-L-alanyl-L-alanyl-N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-L-prolinamide4-({1-[(1-{[1-(4-Chloro-3-oxo-1-phenylbutan-2-yl)prolyl]imino}-1-hydroxypropan-2-yl)imino]-1-hydroxypropan-2-yl}imino)-4-hydroxybutanoic acid4-{[(2S)-1-{[(2S)-1-{[1-(4-Chloro-3-oxo-1-phenylbutan-2-yl)-L-prolyl]imino}-1-hydroxypropan-2-yl]imino}-1-hydroxypropan-2-yl]imino}-4-hydroxybutanoic acidL-Prolinamide, N-(3-carboxy-1-oxopropyl)-L-alanyl-L-alanyl-N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-
Show more names
L-Prolinamide, N-(3-carboxy-1-oxopropyl)-L-alanyl-L-alanyl-N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]- (9CI)4-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-chloro-3-oxo-1-phenylbutan-2-yl)pyrrolidine-2-carbonyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 862
Physicochemical properties
- Boiling point
- 916.471 · 916.471±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.691 · 4.691±0.10(predicted)
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Compound notes
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