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Boceprevir-d9
(1R,2S,5S)-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-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[(2S)-2-[[[[1,1-di(methyl-d)ethyl-2,2,2-d]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl- , (1R,2S,5S)-, (1R,2S,5S)-N-(4-Amino-1-cyclobutyl-3,4-dioxo-2-butanyl)-6,6-dimethyl-3-(3-methyl-N-{[2-(H)methyl(H)-2-propanyl]carbamoyl}-L-valyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, [D9]boceprevir, Boceprevir-d9
CAS Number: 1256751-11-7
IUPAC name: (1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Molecular formula: C27H36D9N5O5
Molecular weight: 528.732
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/i4D3,5D3,6D3
InChIKey: LHHCSNFAOIFYRV-BHJZPCNUSA-N
SMILES: [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC3CCC3)C(=O)C(=O)N)C2(C)C)C(C)(C)C
EINECS: -
