3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE, N-[3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]-3-[(2S)-2-[[[(1,1-DIMETHYLETHYL)AMINO]CARBONYL]AMINO]-3,3-DIMETHYL-1-OXOBUTYL]-6,6-DIMETHYL-, (1R,2S,5S)-

CAS No.
394730-60-0
CCD No.
CCD07197766
Formula
C27 H45 N5 O5
MolWeight
519.682

Basic Information

Product Name: 3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE, N-[3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]-3-[(2S)-2-[[[(1,1-DIMETHYLETHYL)AMINO]CARBONYL]AMINO]-3,3-DIMETHYL-1-OXOBUTYL]-6,6-DIMETHYL-, (1R,2S,5S)-
CAS: 394730-60-0
English Synonyms: BOCEPREVIR? ; BOCEPREVIR(EBP 520; SCH 503034 ) ; BOCEPREVIR, ; BOCEPREVIR/EBP520/SCH503034 / ; 3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE, N-[3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]-3-[(2S)-2-[[[(1,1-DIMETHYLETHYL)AMINO]CARBONYL]AMINO]-3,3-DIMETHYL-1-OXOBUTYL]-6,6-DIMETHYL-, (1R,2S,5S)-
MDL Number.: MFCD22208555
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-DOVBMPENSA-N

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