Chem
J-GLOBAL ID:200907027894541062   Nikkaji number:J1.562.110I

(2S,3S)-2-(1,3-Dioxo-4,5,6,7-tetrachloro-1,3-dihydro-2H-isoindole-2-yl)-3-methylvaleric acid

(2S,3S)-2-(1,3-ジオキソ-4,5,6,7-テトラクロロ-1,3-ジヒドロ-2H-イソインドール-2-イル)-3-メチル吉草酸
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: C14H11Cl4NO4
Molecular formula furigana: C14-H11-CL4-N-O4
Molecular weight: 399.050
InChI: InChI=1S/C14H11Cl4NO4/c1-3-4(2)11(14(22)23)19-12(20)5-6(13(19)21)8(16)10(18)9(17)7(5)15/h4,11H,3H2,1-2H3,(H,22,23)/t4-,11-/m0/s1
InChI key: BXTNZHLEVRDHIE-AUIPBDMJSA-N
SMILES: CC[C@H](C)[C@H](N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl)C(=O)O
Systematic name  (3):
  • (2S,3S)-2-(1,3-ジオキソ-4,5,6,7-テトラクロロ-1,3-ジヒドロ-2H-イソインドール-2-イル)-3-メチル吉草酸
  • (2S,3S)-3-メチル-2-(4,5,6,7-テトラクロロ-1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)ペンタン酸
  • (2S,3S)-3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)pentanoic acid
Other name (1):
  • (2S,3S)-2-(1,3-Dioxo-4,5,6,7-tetrachloro-1,3-dihydro-2H-isoindole-2-yl)-3-methylvaleric acid
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