
API0232667
Boceprevir
Boceprevir is an antiviral drug (for hepatitis C).
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CAS No.
394730-60-0
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Synonyms
Boceprevir; 394730-60-0; Victrelis
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CHEMBL ID
CHEMBL218394
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Indications
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Molecule Type
Small molecule
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Compound CID
10324367
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Molecular Weight (g/mol)
519.7
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Molecular Formula
C27H45N5O5
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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
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InChIKey
LHHCSNFAOIFYRV-DOVBMPENSA-N
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SMILES
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C
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IUPAC Name
(1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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Exact Mass (Da)
519.34206955
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Monoisotopic Mass (Da)
519.34206955
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