(1R,2S,5S)-3-[(S)-2-(3-TERT-BUTYL-UREIDO)-3,3-DIMETHYL-BUTYRYL]-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID

pro_cas
816444-90-3
pro_cdbregno
CCD01287070
pro_formula
C19 H33 N3 O4
pro_molWeight
367.487

basic_info

Product_Name: (1R,2S,5S)-3-[(S)-2-(3-TERT-BUTYL-UREIDO)-3,3-DIMETHYL-BUTYRYL]-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID
CAS: 816444-90-3
EnglishSynonyms: (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 ; BOCEPREVIR-METABOLITE-M4 ; (1R,2S,5S)-3-[(S)-2-(3-TERT-BUTYL-UREIDO)-3,3-DIMETHYL-BUTYRYL]-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID ; (1S,2S,5S)-3-((S)-2-(3-TERT-BUTYLUREIDO)-3,3-DIMETHYLBUTANOYL)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID ; SCH 503034-METABOLITE-M4
pro_mdlNumber: MFCD11865139
pro_acceptors: 7
pro_donors: 3
pro_smile: 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
InChi: InChI=1S/C19H33N3O4/c1-17(2,3)13(20-16(26)21-18(4,5)6)14(23)22-9-10-11(19(10,7)8)12(22)15(24)25/h10-13H,9H2,1-8H3,(H,24,25)(H2,20,21,26)/t10-,11-,12-,13+/m0/s1
InChiKey: InChIKey=ODCGBMOBUUHGRG-ZDEQEGDKSA-N

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