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| Ligand Name: phenylalanyl chloromethylketone |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1222 |
PubChem:
4369560
|
Synonym(s):
- phenylalanylmethylchloride
- l-phenylalanine chloromethyl ketone
- (s)-3-amino-1-chloro-4-phenylbutan-2-one
- (3s)-3-amino-1-chloro-4-phenylbutan-2-one
- phenylalanylchloromethane
- schembl995791
- zinc2504633
- akos006287579
- db08374
- (3s)-3-amino-1-chloro-4-phenyl-2-butanone
- q27097589
show 10 synonym(s)
|
| DrugBank: DB08374 |
ChEMBL: CHEMBL1235183 |
| Canonical SMILES: ClCC(=O)[C@@H](N)Cc1ccccc1 |
| Standard InChI: InChI=1S/C10H12ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1 |
| Molecular Formula: C10H12ClNO |
Mol. Weight: 197.06075 |
logP: 1.3643 |
| HBD: 1 | HBA: 2 |
| #Rotatable Bonds: 4 | TPSA: 43.09 |