Grundinformationen
- Standard-SMILES
Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2)c(=O)n1C- InChIKey
IBAZQIKVHCLTHH-SFHVURJKSA-N- Summenformel
- C24H19Cl2F3N2O4
- Durchschnittliche Molmasse
- 527,3 g/mol
- Monoisotopische Masse
- 526,06739711
Überblick
N-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-L-phenylalanine is an L-phenylalanine derivative that is N-(2,6-dichlorobenzoyl)-L-phenylalanine carrying an additional 1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl substituent at position 4 on the phenyl ring. It is a N-acyl-L-amino acid, an organofluorine compound, a pyridone and a L-phenylalanine derivative.
Namen und Bezeichner
- Bevorzugter Name
- RO-0505376
- IUPAC
- (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]propanoic acid
Namen und Synonyme
UHG8ON73DXUNII-UHG8ON73DX343981-29-3N-(2,6-Dichlorobenzoyl)-4-[1,6-Dimethyl-2-Oxo-4-(Trifluoromethyl)-1,2-Dihydropyridin-3-Yl]-L-PhenylalanineRO-0505376CHEBI:90591L-Phenylalanine, N-(2,6-dichlorobenzoyl)-4-(1,2-dihydro-1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl)-N-(2,6-Dichlorobenzoyl)-4-(1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)-L-phenylalanineRefChem:202873RO0505376RO 0505376CHEMBL2332742
Weitere Namen anzeigen
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridin-3-yl]phenyl]propanoic acidorb2815320SCHEMBL6234813DTXSID501352279GLXC-27141BDBM50428926T202390Q27162615
Datenbank-Bezeichner
- CAS
343981-29-3- PubChem CID
- 9806910
- DTXSID
DTXSID501352279- ChEMBL
CHEMBL2332742- ChEBI
CHEBI:90591- UNII
- UHG8ON73DX
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5
- Polarare Oberfläche (TPSA)
- 86,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 903
Zugehörige Reaktionen
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