| Synonyms |
(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 |
| 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 Weight |
528.73 |
| Molecular Formula |
C27H36D9N5O5 |
| Canonical SMILES |
CC1(C2C1C(N(C2)C(=O)C(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/i4D3,5D3,6D3 |
| InChIKey |
LHHCSNFAOIFYRV-BHJZPCNUSA-N |
| Melting Point |
113-120°C |
| Purity |
>99.00% |
| Density |
1.2±0.1 g/cm3 |
| Solubility |
Soluble in DMSO, Methanol |
| Appearance |
Light Yellow Solid |
| Storage |
Store at -20°C |
| Complexity |
959 |
| Exact Mass |
528.39856027 |
| Index Of Refraction |
1.533 |
| In Vitro |
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs. |
| PSA |
157.68000 |
| Target |
HCV Protease; HCV; SARS-CoV |
| XLogP3-AA |
3.1 |
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