Chem
J-GLOBAL ID:200907051642980240   Nikkaji number:J1.135.235I

N-[(1-Benzothiophene 1,1-dioxide)-2-ylmethoxycarbonyl]-O-tert-butyl-L-tyrosine

N-[(1-ベンゾチオフェン1,1-ジオキシド)-2-イルメトキシカルボニル]-O-tert-ブチル-L-チロシン
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: C23H25NO5[O-]2[S+2]
Molecular formula furigana: C23-H25-N-O7-S
Molecular weight: 459.510
InChI: InChI=1S/C23H25NO7S/c1-23(2,3)31-17-10-8-15(9-11-17)12-19(21(25)26)24-22(27)30-14-18-13-16-6-4-5-7-20(16)32(18,28)29/h4-11,13,19H,12,14H2,1-3H3,(H,24,27)(H,25,26)/t19-/m0/s1
InChI key: FFNJOBZHXNSRJE-IBGZPJMESA-N
SMILES: CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCC2=Cc3ccccc3[S+2]2([O-])[O-])C(=O)O)cc1
Systematic name  (3):
  • N-[(1-ベンゾチオフェン1,1-ジオキシド)-2-イルメトキシカルボニル]-O-tert-ブチル-L-チロシン
  • 2-[({[(1S)-2-[4-(tert-ブトキシ)フェニル]-1-カルボキシエチル]カルバモイル}オキシ)メチル]-1H-1-ベンゾチオフェン-1,1-ジイウム-1,1-ビス(オラート)
  • 2-[({[(1S)-2-[4-(tert-butoxy)phenyl]-1-carboxyethyl]carbamoyl}oxy)methyl]-1H-1-benzothiophene-1,1-diium-1,1-bis(olate)
Other name (1):
  • N-[(1-Benzothiophene 1,1-dioxide)-2-ylmethoxycarbonyl]-O-tert-butyl-L-tyrosine
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