N-[2-(1,1-Dimethylethyl)phenyl]-2-oxoglycyl-N-[(1S)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]-L-alaninamide, 98%, 98%

cas: 254750-02-2 — see every product listed under this CAS number, including other names

N-[2-(1,1-Dimethylethyl)phenyl]-2-oxoglycyl-N-[(1S)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]-L-alaninamide, 98%, 98% (CAS 254750-02-2) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 250mg. Offered by: Chemat.

• 2D
• 3D

(3S)-3-[[(2S)-2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid (CAS 254750-02-2) is a chemical compound with the molecular formula C26H27F4N3O7 and a molecular weight of 569.5 g/mol. IUPAC name: (3S)-3-[[(2S)-2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid. InChIKey: SCVHJVCATBPIHN-SJCJKPOMSA-N.

Identity

Molecular formula	C26H27F4N3O7
Molecular weight	569.5 g/mol
IUPAC name	(3S)-3-[[(2S)-2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
InChIKey	SCVHJVCATBPIHN-SJCJKPOMSA-N
SMILES	C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)NC(=O)C(=O)NC2=CC=CC=C2C(C)(C)C

Computed by PubChem (NCBI)

Synonyms: Emricasan, emricasanum, Emricasan [USAN:INN], Emricasan [USAN], Emricasan?, EMRICASAN [INN], Emricasan (USAN/INN), EMRICASAN [WHO-DD], orb1225505, orb1300430

Related forms of this compound

(3S)-3-[[(2R)-2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid C₂₆H₂₇F₄N₃O₇