Chem
J-GLOBAL ID：201707007861016215   Nikkaji number：J3.556.230C

Brensocatib

ブレンソカチブ
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C23H24N4O4
Molecular formula furigana： C23-H24-N4-O4
Molecular weight： 420.469
InChI： InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
InChI key： AEXFXNFMSAAELR-RXVVDRJESA-N
SMILES： Cn1c2cc(ccc2oc1=O)c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Systematic name  (3)：
  • (S)-3-[4-(2-オキソ-3-メチル-2,3-ジヒドロベンゾオキサゾール-5-イル)フェニル]-2-[(ヘキサヒドロ-1,4-オキサゼピン-2α-イル)カルボニルアミノ]プロパンニトリル
  • (2S)-N-[(1S)-1-シアノ-2-[4-(3-メチル-2-オキソ-2,3-ジヒドロ-1,3-ベンゾオキサゾール-5-イル)フェニル]エチル]-1,4-オキサゼパン-2-カルボキサミド
  • (2S)-N-[(1S)-1-cyano-2-[4-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]ethyl]-1,4-oxazepane-2-carboxamide
Other name (3)：
  • (S)-3-[4-(2-Oxo-3-methyl-2,3-dihydrobenzoxazole-5-yl)phenyl]-2-[(hexahydro-1,4-oxazepine-2α-yl)carbonylamino]propanenitrile
  • Brensocatib
  • ブレンソカチブ
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