Boceprevir

CAS Registry Number®

394730-60-0
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CAS Name

Boceprevir

Molecular Formula

C27H45N5O5

Molecular Mass

519.68

Cite this Page

Boceprevir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=394730-60-0 (retrieved 2024-04-26) (CAS RN: 394730-60-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=LHHCSNFAOIFYRV-DOVBMPENSA-N

SMILES

C(NC(CC1CCC1)C(C(N)=O)=O)(=O)[C@@H]2[C@@]3([C@@](C3(C)C)(CN2C([C@@H](NC(NC(C)(C)C)=O)C(C)(C)C)=O)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • 3-Azabicyclo[3.1.0]hexane-2-carboxamide, 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-, (1R,2S,5S)-
  • (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
  • Sch 503034
  • Boceprevir
  • EBP 520

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