BOCEPREVIR ,394730-60-0 _Chemical Cloud Database

BOCEPREVIR

Basic Information
Product Name：	BOCEPREVIR
CAS：	394730-60-0
English Synonyms：	BOCEPREVIR ; 3-{[(1R,2S,5S)-3-[(2R)-2-[(TERT- BUTYLCARBAMOYL)AMINO]-3,3-DIMETHYLBUTANOYL]-6,6- DIMETHYL-3-AZABICYCLO[3.1.0]HEXAN-2-YL]FORMAMIDO}-4- CYCLOBUTYL-2-OXOBUTANAMIDE ; EBP520 ; (1R,2S,5S)-N-(4-AMINO-1-CYCLOBUTYL-3,4-DIOXOBUTAN-2-YL)-3-[(2S)-2-(TERT-BUTYLCARBAMOYLAMINO)-3,3-DIMETHYLBUTANOYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE
MDL Number.：	MFCD16038037
H bond acceptor：	10
H bond donor：	4
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)NC(CC3CCC3)C(=O)C(=O)N)C
InChi：	InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20-/m0/s1
InChiKey：	InChIKey=LHHCSNFAOIFYRV-LEUZCIGGSA-N
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