| Description |
2'-Dihydro Boceprevir-[d9] (Boceprevir Metabolite M28-d9+M31-d9 (Mixture of Diastereomers)) is the labelled analogue of 2'-Dihydro Boceprevir (Boceprevir Metabolite M28+M31 (Mixture of Diastereomers)), which is a metabolite of Boceprevir. |
| Synonyms |
2'-Dihydro Boceprevir-d9 (Boceprevir Metabolite M28-d9+M31-d9 (Mixture of Diastereomers)); (1R,2S,5S)-N-[3-amino-1-(cyclobutylmethyl)-2-hydroxy-3-oxopropyl]-3-[(2S)-2-[[[(1,1-dimethylethyl-d9)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide; (1R,2S,5S)-N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide-d9 |
| IUPAC Name |
(1R,2S,5S)-N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-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 |
| Related CAS |
394735-28-5 (unlabelled)
|
| Canonical SMILES |
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(C(=O)N)O)C |
| InChI |
InChI=1S/C27H47N5O5/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/h14-20,33H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,19?,20+/m0/s1/i4D3,5D3,6D3 |
| InChI Key |
FEBWCINGHXXUCV-SGSZLEPGSA-N |
| Solubility |
Soluble in DMSO |
| Appearance |
Off-white Solid |
| Storage |
Store at 2-8°C |
![2'-Dihydro Boceprevir-[d9] (Boceprevir Metabolite M28-d9+M31-d9 (Mixture of Diastereomers))](/isotope.v1/images/structure-default.jpg)
