Chem
J-GLOBAL ID:200907050248558129   Nikkaji number:J1.687.927D

N-[[(4S)-2-[(2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosyl)imino]-4-phenyl-6-oxo-3,4,5,6-tetrahydropyrimidine-1(2H)-yl]methyl]phthalimide

N-[[(4S)-2-[(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)イミノ]-4-フェニル-6-オキソ-3,4,5,6-テトラヒドロピリミジン-1(2H)-イル]メチル]フタルイミド
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: C33H34N4O12
Molecular formula furigana: C33-H34-N4-O12
Molecular weight: 678.651
InChI: InChI=1S/C33H34N4O12/c1-17(38)45-15-25-27(46-18(2)39)28(47-19(3)40)29(48-20(4)41)30(49-25)35-33-34-24(21-10-6-5-7-11-21)14-26(42)36(33)16-37-31(43)22-12-8-9-13-23(22)32(37)44/h5-13,24-25,27-30H,14-16H2,1-4H3,(H,34,35)/t24-,25+,27+,28-,29+,30+/m0/s1
InChI key: PUPIMFAUAXZDKD-XXAVWSCOSA-N
SMILES: CC(=O)OC[C@H]1O[C@@H](N=C2N[C@@H](CC(=O)N2CN2C(=O)c3ccccc3C2=O)c2ccccc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3):
  • N-[[(4S)-2-[(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)イミノ]-4-フェニル-6-オキソ-3,4,5,6-テトラヒドロピリミジン-1(2H)-イル]メチル]フタルイミド
  • [(2R,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-{[(4S)-1-[(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)メチル]-6-オキソ-4-フェニル-1,3-ジアジナン-2-イリデン]アミノ}オキサン-2-イル]メチル アセタート
  • [(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-{[(4S)-1-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-6-oxo-4-phenyl-1,3-diazinan-2-ylidene]amino}oxan-2-yl]methyl acetate
Other name (1):
  • N-[[(4S)-2-[(2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosyl)imino]-4-phenyl-6-oxo-3,4,5,6-tetrahydropyrimidine-1(2H)-yl]methyl]phthalimide
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