Chem
J-GLOBAL ID：200907025528536649   Nikkaji number：J2.197.606G

N-Acetyl-2-O-[4-[5-(dimethylamino)-1-naphthylsulfonylamino]-2-(trifluoromethyl)phenyl]-α-neuraminic acid

N-アセチル-2-O-[4-[5-(ジメチルアミノ)-1-ナフチルスルホニルアミノ]-2-(トリフルオロメチル)フェニル]-α-ノイラミン酸
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： C30H34F3N3O11S
Molecular formula furigana： C30-H34-F3-N3-O11-S
Molecular weight： 701.670
InChI： InChI=1S/C30H34F3N3O11S/c1-15(38)34-25-21(39)13-29(28(42)43,47-27(25)26(41)22(40)14-37)46-23-11-10-16(12-19(23)30(31,32)33)35-48(44,45)24-9-5-6-17-18(24)7-4-8-20(17)36(2)3/h4-12,21-22,25-27,35,37,39-41H,13-14H2,1-3H3,(H,34,38)(H,42,43)/t21-,22+,25+,26+,27+,29+/m0/s1
InChI key： ANZKHFDFDVMJID-MCTOQGEZSA-N
SMILES： CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(O[C@@]2(C[C@H](O)[C@@H](NC(=O)C)[C@@H](O2)[C@H](O)[C@H](O)CO)C(=O)O)c(c1)C(F)(F)F
Systematic name  (4)：
  • N-アセチル-2-O-[4-[5-(ジメチルアミノ)-1-ナフチルスルホニルアミノ]-2-(トリフルオロメチル)フェニル]-α-ノイラミン酸
  • N-アセチル-2-O-[2-(トリフルオロメチル)-4-[[[5-(ジメチルアミノ)-1-ナフチル]スルホニル]アミノ]フェニル]-α-ノイラミン酸
  • (2S,4S,5R,6R)-2-{4-[5-(ジメチルアミノ)ナフタレン-1-スルホンアミド]-2-(トリフルオロメチル)フェノキシ}-5-アセトアミド-4-ヒドロキシ-6-[(1R,2R)-1,2,3-トリヒドロキシプロピル]オキサン-2-カルボン酸
  • (2S,4S,5R,6R)-2-{4-[5-(dimethylamino)naphthalene-1-sulfonamido]-2-(trifluoromethyl)phenoxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (2)：
  • N-Acetyl-2-O-[4-[5-(dimethylamino)-1-naphthylsulfonylamino]-2-(trifluoromethyl)phenyl]-α-neuraminic acid
  • N-Acetyl-2-O-[2-(trifluoromethyl)-4-[[[5-(dimethylamino)-1-naphthyl]sulfonyl]amino]phenyl]-α-neuraminic acid
Thsaurus map：
Thesaurus Map

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