Chem
J-GLOBAL ID:200907049695935616   Nikkaji number:J1.135.256A

N-[(1-Benzothiophene 1,1-dioxide)-2-ylmethoxycarbonyl]-L-phenylalanine fluoride

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]-L-フェニルアラニンフルオリド
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: C19H16FNO3[O-]2[S+2]
Molecular formula furigana: C19-H16-F-N-O5-S
Molecular weight: 389.400
InChI: InChI=1S/C19H16FNO5S/c20-18(22)16(10-13-6-2-1-3-7-13)21-19(23)26-12-15-11-14-8-4-5-9-17(14)27(15,24)25/h1-9,11,16H,10,12H2,(H,21,23)/t16-/m0/s1
InChI key: YREDRHLFZJCRKP-INIZCTEOSA-N
SMILES: [O-][S+2]1([O-])C(=Cc2ccccc12)COC(=O)N[C@@H](Cc1ccccc1)C(=O)F
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]-L-フェニルアラニンフルオリド
  • 2-[({[(2S)-1-フルオロ-1-オキソ-3-フェニルプロパン-2-イル]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-[({[(2S)-1-fluoro-1-oxo-3-phenylpropan-2-yl]carbamoyl}oxy)methyl]-1H-1-benzothiophene-1,1-diium-1,1-bis(olate)
Other name (1):
  • N-[(1-Benzothiophene 1,1-dioxide)-2-ylmethoxycarbonyl]-L-phenylalanine fluoride
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