Chem
J-GLOBAL ID：200907098712854278   Nikkaji number：J728.854I

BILA-2185BS

N-tert-ブチル-1-[(2R,3S)-3-ベンジル-2-ヒドロキシ-3-[[(2,6-ジメチルフェノキシ)アセチル]アミノ]プロピル]-4α-(4-ピリジニルチオ)ピペリジン-2α-カルボアミド
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： C35H46N4O4S
Molecular formula furigana： C35-H46-N4-O4-S
Molecular weight： 618.840
InChI： InChI=1S/C35H46N4O4S/c1-24-10-9-11-25(2)33(24)43-23-32(41)37-29(20-26-12-7-6-8-13-26)31(40)22-39-19-16-28(44-27-14-17-36-18-15-27)21-30(39)34(42)38-35(3,4)5/h6-15,17-18,28-31,40H,16,19-23H2,1-5H3,(H,37,41)(H,38,42)/t28-,29+,30+,31-/m1/s1
InChI key： WVPSCZBMYQIZMS-QNRWOPMTSA-N
SMILES： Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)Sc1ccncc1
Systematic name  (4)：
  • N-tert-ブチル-1-[(2R,3S)-3-ベンジル-2-ヒドロキシ-3-[[(2,6-ジメチルフェノキシ)アセチル]アミノ]プロピル]-4α-(4-ピリジニルチオ)ピペリジン-2α-カルボアミド
  • (2S,4R)-N-tert-ブチル-1-[(2R,3S)-2-ヒドロキシ-3-[[(2,6-ジメチルフェノキシ)アセチル]アミノ]-4-フェニルブチル]-4-(4-ピリジルチオ)ピペリジン-2-カルボアミド
  • (2S,4R)-N-tert-ブチル-1-[(2R,3S)-3-[2-(2,6-ジメチルフェノキシ)アセトアミド]-2-ヒドロキシ-4-フェニルブチル]-4-(ピリジン-4-イルスルファニル)ピペリジン-2-カルボキサミド
  • (2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethylphenoxy)acetamido]-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfanyl)piperidine-2-carboxamide
Other name (4)：
  • BILA-2185BS
  • N-tert-Butyl-1-[(2R,3S)-3-benzyl-2-hydroxy-3-[[(2,6-dimethylphenoxy)acetyl]amino]propyl]-4α-(4-pyridinylthio)piperidine-2α-carboxamide
  • (2S,4R)-N-tert-Butyl-1-[(2R,3S)-2-hydroxy-3-[[(2,6-dimethylphenoxy)acetyl]amino]-4-phenylbutyl]-4-(4-pyridylthio)piperidine-2-carboxamide
  • BILA 2185BS
CAS registry number： 154612-58-5
KEGG COMPOUND： C15657
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