Chem
J-GLOBAL ID:200907049605347168   Nikkaji number:J1.188.866F

1-O-Methyl-2-O-benzyl-3-O-(4-chlorophenylcarbamoylcarbamoyl)-4-O-(2-nitrophenylcarbamoylcarbamoyl)-6-O-(2-tert-butoxy-2-oxoethyl)-D-galactopyranose

1-O-メチル-2-O-ベンジル-3-O-(4-クロロフェニルカルバモイルカルバモイル)-4-O-(2-ニトロフェニルカルバモイルカルバモイル)-6-O-(2-tert-ブトキシ-2-オキソエチル)-D-ガラクトピラノース
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: C36H40ClN4[N+]O13[O-]
Molecular formula furigana: C36-H40-CL-N5-O14
Molecular weight: 802.190
InChI: InChI=1S/C36H40ClN5O14/c1-36(2,3)56-27(43)20-51-19-26-28(54-34(46)41-33(45)39-24-12-8-9-13-25(24)42(48)49)29(30(31(50-4)53-26)52-18-21-10-6-5-7-11-21)55-35(47)40-32(44)38-23-16-14-22(37)15-17-23/h5-17,26,28-31H,18-20H2,1-4H3,(H2,38,40,44,47)(H2,39,41,45,46)/t26-,28+,29+,30-,31?/m1/s1
InChI key: OINOPGVSPBVWOW-IWHCUQKTSA-N
SMILES: COC1O[C@H](COCC(=O)OC(C)(C)C)[C@H](OC(=O)NC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](OC(=O)NC(=O)Nc2ccc(Cl)cc2)[C@H]1OCc1ccccc1
Systematic name  (3):
  • 1-O-メチル-2-O-ベンジル-3-O-(4-クロロフェニルカルバモイルカルバモイル)-4-O-(2-ニトロフェニルカルバモイルカルバモイル)-6-O-(2-tert-ブトキシ-2-オキソエチル)-D-ガラクトピラノース
  • tert-ブチル 2-{[(2R,3S,4S,5R)-5-(ベンジルオキシ)-4-[({[(4-クロロフェニル)カルバモイル]アミノ}カルボニル)オキシ]-6-メトキシ-3-[({[(2-ニトロフェニル)カルバモイル]アミノ}カルボニル)オキシ]オキサン-2-イル]メトキシ}アセタート
  • tert-butyl 2-{[(2R,3S,4S,5R)-5-(benzyloxy)-4-[({[(4-chlorophenyl)carbamoyl]amino}carbonyl)oxy]-6-methoxy-3-[({[(2-nitrophenyl)carbamoyl]amino}carbonyl)oxy]oxan-2-yl]methoxy}acetate
Other name (1):
  • 1-O-Methyl-2-O-benzyl-3-O-(4-chlorophenylcarbamoylcarbamoyl)-4-O-(2-nitrophenylcarbamoylcarbamoyl)-6-O-(2-tert-butoxy-2-oxoethyl)-D-galactopyranose
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