Chem
J-GLOBAL ID:200907015175752665   Nikkaji number:J912.613I

L-758354

(2S,4R)-2-ブチル-4-[[(1S)-1-(メチルカルバモイル)-2,2-ジメチルプロピル]カルバモイル]-6-(4′-フルオロ-4-ビフェニリル)ヘキサン酸
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: C30H41FN2O4
Molecular formula furigana: C30-H41-F-N2-O4
Molecular weight: 512.666
InChI: InChI=1S/C30H41FN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1
InChI key: RTPXKIITNMOTOD-RMTZWNOUSA-N
SMILES: CCCC[C@@H](C[C@@H](CCc1ccc(cc1)c1ccc(F)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O
Systematic name  (5):
  • (2S,4R)-2-ブチル-4-[[(1S)-1-(メチルカルバモイル)-2,2-ジメチルプロピル]カルバモイル]-6-(4′-フルオロ-4-ビフェニリル)ヘキサン酸
  • (2S,4R)-6-(4′-フルオロビフェニル-4-イル)-2-ブチル-4-[[(1S)-2,2-ジメチル-1-(メチルカルバモイル)プロピル]カルバモイル]ヘキサン酸
  • (2S)-2-[(2R)-2-[[(S)-1-(メチルカルバモイル)-2,2-ジメチルプロピル]カルバモイル]-4-(4′-フルオロ[1,1′-ビフェニル]-4-イル)ブチル]ヘキサン酸
  • (2S,4R)-2-ブチル-4-{[(1S)-2,2-ジメチル-1-(メチルカルバモイル)プロピル]カルバモイル}-6-{4'-フルオロ-[1,1'-ビフェニル]-4-イル}ヘキサン酸
  • (2S,4R)-2-butyl-4-{[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl}-6-{4'-fluoro-[1,1'-biphenyl]-4-yl}hexanoic acid
Other name (4):
  • L-758354
  • (2S,4R)-6-(4′-Fluorobiphenyl-4-yl)-2-butyl-4-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]hexanoic acid
  • (2S,4R)-2-Butyl-4-[[(1S)-1-(methylcarbamoyl)-2,2-dimethylpropyl]carbamoyl]-6-(4′-fluoro-4-biphenylyl)hexanoic acid
  • (2S)-2-[(2R)-2-[[(S)-1-(Methylcarbamoyl)-2,2-dimethylpropyl]carbamoyl]-4-(4′-fluoro[1,1′-biphenyl]-4-yl)butyl]hexanoic acid
CAS registry number: 188048-85-3
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