(1R,2S,5S)–3–((S)–2–(3–tert–butylureido)–3,3–dimethylbutanoyl)–6,6–dimethyl–3–aza–bicyclo(3·1·0)hexane–2–carboxylic acid

cas: 816444-90-3 — see every product listed under this CAS number, including other names

(1R,2S,5S)–3–((S)–2–(3–tert–butylureido)–3,3–dimethylbutanoyl)–6,6–dimethyl–3–aza–bicyclo(3·1·0)hexane–2–carboxylic acid (CAS 816444-90-3) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 5mg. Offered by: GLPBio.

• 2D
• 3D

(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (CAS 816444-90-3) is a chemical compound with the molecular formula C19H33N3O4 and a molecular weight of 367.5 g/mol. IUPAC name: (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid. InChIKey: ODCGBMOBUUHGRG-ZDEQEGDKSA-N.

Identity

Molecular formula	C19H33N3O4
Molecular weight	367.5 g/mol
IUPAC name	(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
InChIKey	ODCGBMOBUUHGRG-ZDEQEGDKSA-N
SMILES	CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)O)C

Computed by PubChem (NCBI)

Synonyms: Boceprevir metaboliten M4, Boceprevir Metabolite M4

Isomers (same molecular formula)

tert-butyl N-[6-[[5-oxo-5-(prop-2-ynylamino)pentanoyl]amino]hexyl]carbamate C₁₉H₃₃N₃O₄

tert-butyl (3R,4S)-3-acetamido-3-(tert-butylcarbamoyl)-4-prop-2-enylpyrrolidine-1-carboxylate C₁₉H₃₃N₃O₄