Chem
J-GLOBAL ID:200907050730544283   Nikkaji number:J123.225H

N4-(2-Acetylamino-3-O,4-O,6-O-triacetyl-2-deoxy-β-D-glucopyranosyl)-N2-trifluoroacetyl-L-asparagine ethyl ester

N4-(2-アセチルアミノ-3-O,4-O,6-O-トリアセチル-2-デオキシ-β-D-グルコピラノシル)-N2-トリフルオロアセチル-L-アスパラギンエチル
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: C22H30F3N3O12
Molecular formula furigana: C22-H30-F3-N3-O12
Molecular weight: 585.486
InChI: InChI=1S/C22H30F3N3O12/c1-6-36-20(34)13(27-21(35)22(23,24)25)7-15(33)28-19-16(26-9(2)29)18(39-12(5)32)17(38-11(4)31)14(40-19)8-37-10(3)30/h13-14,16-19H,6-8H2,1-5H3,(H,26,29)(H,27,35)(H,28,33)/t13-,14+,16+,17+,18+,19+/m0/s1
InChI key: MMVXDBXHWCBCEQ-FDWQNNOGSA-N
SMILES: CCOC(=O)[C@H](CC(=O)N[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1NC(=O)C)NC(=O)C(F)(F)F
Systematic name  (3):
  • N4-(2-アセチルアミノ-3-O,4-O,6-O-トリアセチル-2-デオキシ-β-D-グルコピラノシル)-N2-トリフルオロアセチル-L-アスパラギンエチル
  • エチル (2S)-3-{[(2R,3R,4R,5S,6R)-4,5-ビス(アセチルオキシ)-6-[(アセチルオキシ)メチル]-3-アセトアミドオキサン-2-イル]カルバモイル}-2-(2,2,2-トリフルオロアセトアミド)プロパノアート
  • ethyl (2S)-3-{[(2R,3R,4R,5S,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl]carbamoyl}-2-(2,2,2-trifluoroacetamido)propanoate
Other name (1):
  • N4-(2-Acetylamino-3-O,4-O,6-O-triacetyl-2-deoxy-β-D-glucopyranosyl)-N2-trifluoroacetyl-L-asparagine ethyl ester
CAS registry number: 16907-93-0
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