Phenylalanyl-alanyl-arginine chloromethyl ketone
Basic information
- CAS
65319-55-3- Standard SMILES
C[C@H](N[C@@H](CCCN=C(N)N)C(=O)CCl)C(=O)NC(=O)[C@@H](N)Cc1ccccc1- InChIKey
UXMGFTICECPEOA-QEJZJMRPSA-N- Molecular formula
- C19H29ClN6O3
- Average molar mass
- 424.9 g/mol
- Monoisotopic mass
- 424.1989665
Overview
urokinase active site inhibitor
Names & identifiers
- Preferred name
- Phenylalanyl-alanyl-arginine chloromethyl ketone
- IUPAC
- (2S)-2-amino-N-[(2S)-2-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]propanoyl]-3-phenylpropanamide
- English name
- phenylalanyl-alanyl-arginine chloromethyl ketone
- Molecular formula
- C19H29ClN6O3
- Molecular weight
- 424.92
Names & synonyms
Phenylalanyl-alanyl-arginine chloromethyl ketonePhe-ala-arg-CK65319-55-3Phe-ala-arg-chloromethyl ketoneL-Alaninamide, L-phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-(chloroacetyl)butyl)-, (S)-RefChem:173009(2S)-2-amino-N-[(2S)-2-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]propanoyl]-3-phenylpropanamideDTXSID009839402-[(6-Carbamimidamido-1-chloro-2-oxohexan-3-yl)amino]-N-phenylalanylpropanimidic acid(2S)-2-{[(3S)-6-(Carbamimidoylamino)-1-chloro-2-oxohexan-3-yl]amino}-N-L-phenylalanylpropanimidic acidL-Alaninamide, L-phenylalanyl-N-[4-[(aminoiminomethyl)amino]-1-(chloroacetyl)butyl]-, (S)- (9CI)
Database identifiers
- CAS
65319-55-3- PubChem CID
- 196430
- DTXSID
DTXSID00983940
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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