CAS: 394735-28-5 - 3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[3-amino-1-(cyclobutylmethyl)-2-hydroxy-3-oxopropyl]-3-[(2S)-2-[[[(1,1 -dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dime thyl-, (1R,2S,5S)-

Formula: C₂₇H₄₇N₅O₅

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

InChI key: InChIKey=FEBWCINGHXXUCV-OHKLFUJGSA-N

SMILES: O=C(NC(C(=O)N1CC2C(C1C(=O)NC(CC3CCC3)C(O)C(=O)N)C2(C)C)C(C)(C)C)NC(C)(C)C

Synonyms:

• (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
• (1R,2S,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2-hydroxy-3-oxopropyl]-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-hydroxy-3-oxopropyl]-3-[(2S)-2-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-, (1R,2S,5S)-
• Hydro-Boceprevir

2'-Dihydro Boceprevir (Boceprevir Metabolite M28+M31 (Mixture of Diastereomers))

CAS: 2170811-38-6 394735-28-5942514-48-9

Applications A metabolite of the Hepatitis C virus NS3 serine protease inhibitor Boceprevir (B675500). It …

• Formula: C₂₇H₄₇N₅O₅
• Color and Shape: Off-White Solid
• Molecular weight: 521.69