Chem
J-GLOBAL ID:200907033128298440   Nikkaji number:J2.728.313F

Acetic acid 2-(difluoromethyl)-5-[[(2S)-4-hydroxy-2-[[5-(dimethylamino)-1-naphthylsulfonyl]amino]butyryl]amino]phenyl ester

2-(ジフルオロメチル)-5-[(2S)-2-[5-(ジメチルアミノ)ナフタレン-1-スルホンアミド]-4-ヒドロキシブタンアミド]フェニル アセタート
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: C25H27F2N3O6S
Molecular formula furigana: C25-H27-F2-N3-O6-S
Molecular weight: 535.560
InChI: InChI=1S/C25H27F2N3O6S/c1-15(32)36-22-14-16(10-11-19(22)24(26)27)28-25(33)20(12-13-31)29-37(34,35)23-9-5-6-17-18(23)7-4-8-21(17)30(2)3/h4-11,14,20,24,29,31H,12-13H2,1-3H3,(H,28,33)/t20-/m0/s1
InChI key: AJYFFWSGHWBLPB-FQEVSTJZSA-N
SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CCO)C(=O)Nc1ccc(C(F)F)c(OC(=O)C)c1
Systematic name  (3):
  • 酢酸2-(ジフルオロメチル)-5-[[(2S)-4-ヒドロキシ-2-[[5-(ジメチルアミノ)-1-ナフチルスルホニル]アミノ]ブチリル]アミノ]フェニル
  • 2-(ジフルオロメチル)-5-[(2S)-2-[5-(ジメチルアミノ)ナフタレン-1-スルホンアミド]-4-ヒドロキシブタンアミド]フェニル アセタート
  • 2-(difluoromethyl)-5-[(2S)-2-[5-(dimethylamino)naphthalene-1-sulfonamido]-4-hydroxybutanamido]phenyl acetate
Other name (1):
  • Acetic acid 2-(difluoromethyl)-5-[[(2S)-4-hydroxy-2-[[5-(dimethylamino)-1-naphthylsulfonyl]amino]butyryl]amino]phenyl ester
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