Chem
J-GLOBAL ID：200907078467991018   Nikkaji number：J1.703.940G

Boc-L-Glu-L-Leu-[(3S)-2-Oxo-3-(2,2-difluoroethyl)-βAla-]-OH

Boc-L-Glu-L-Leu-[(3S)-2-オキソ-3-(2,2-ジフルオロエチル)-βAla-]-OH
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： C21H33F2N3O9
Molecular formula furigana： C21-H33-F2-N3-O9
Molecular weight： 509.504
InChI： InChI=1S/C21H33F2N3O9/c1-10(2)8-13(18(31)24-12(9-14(22)23)16(29)19(32)33)25-17(30)11(6-7-15(27)28)26-20(34)35-21(3,4)5/h10-14H,6-9H2,1-5H3,(H,24,31)(H,25,30)(H,26,34)(H,27,28)(H,32,33)/t11-,12-,13-/m0/s1
InChI key： WXVMZATZAOHPFR-AVGNSLFASA-N
SMILES： CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)O
Systematic name  (3)：
  • Boc-L-Glu-L-Leu-[(3S)-2-オキソ-3-(2,2-ジフルオロエチル)-βAla-]-OH
  • (3S)-3-[(2S)-2-[(2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-4-カルボキシブタンアミド]-4-メチルペンタンアミド]-5,5-ジフルオロ-2-オキソペンタン酸
  • (3S)-3-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-carboxybutanamido]-4-methylpentanamido]-5,5-difluoro-2-oxopentanoic acid
Other name (1)：
  • Boc-L-Glu-L-Leu-[(3S)-2-Oxo-3-(2,2-difluoroethyl)-βAla-]-OH
Thsaurus map：
Thesaurus Map

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