Boceprevir Dimer

Product Specifications

Hazard Statement

No Data Available

Smiles

CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC3CCC3)C(=O)C(=O)NC(=O)C(=O)C(CC4CCC4)NC(=O)[C@@H]5[C@@H]6[C@H](CN5C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C6(C)C)C2(C)C)C(C)(C)C

Molecular Formula

C54 H87 N9 O10

Molecular Weight

1022.323

InChI

InChI=1S/C54H87N9O10/c1-49(2,3)39(57-47(72)60-51(7,8)9)45(70)62-25-29-33(53(29,13)14)35(62)41(66)55-31(23-27-19-17-20-27)37(64)43(68)59-44(69)38(65)32(24-28-21-18-22-28)56-42(67)36-34-30(54(34,15)16)26-63(36)46(71)40(50(4,5)6)58-48(73)61-52(10,11)12/h27-36,39-40H,17-26H2,1-16H3,(H,55,66)(H,56,67)(H2,57,60,72)(H2,58,61,73)(H,59,68,69)/t29-,30-,31?,32?,33-,34-,35-,36-,39+,40+/m0/s1

Additionnal Information

IUPAC name: (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-N-[4-[[3-[[(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclobutyl-2-oxobutanoyl]amino]-1-cyclobutyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide