RO-0505376

HCID 9806910CAS 343981-29-3

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

Zugehörige Reaktionen

8

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