basic_info |
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| 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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