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2?-Dihydro Boceprevir-d9 (Boceprevir Metabolite M28-d9+M31-d9 (Mixture of Diastereomers)), TRC

Product Code. 30370288
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0.25 mg
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Product Code. 30370288 Supplier Toronto Research Chemicals Supplier No. TRCD4486420.25MG

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Description

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

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Specifications

Chemical Name or Material 2'-dihydro Boceprevir amide-tert-butyl-d9
CAS 1373318-85-4
Molecular Formula C27 D9 H38 N5 O5
Quantity 0.25 mg
Synonym (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, Boceprevir Metabolite M28-d9+M31-d9 (Mixture of Diastereomers)
InChI Formula 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
SMILES [2H]C([2H])([2H])C(NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC3CCC3)[C@@H](O)C(=O)N)C2(C)C)C(C)(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H]
IUPAC Name (1R,2S,5S)-N-[(1S,2R)-3-amino-1-(cyclobutylmethyl)-2-hydroxy-3-oxo-propyl]-3-[(2S)-3,3-dimethyl-2-[[2,2,2-trideuterio-1,1-bis(trideuteriomethyl)ethyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Molecular Weight (g/mol) 530.75
Formula Weight 530.4142
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