Chem
J-GLOBAL ID:200907026718427842   Nikkaji number:J2.267.788H

(3S)-3-[[(9H-Fluorene-9-ylmethoxy)carbonyl]amino]-4-[[(1S)-1-benzyl-2-(2-O,3-O,4-O,6-O-tetraacetyl-α-D-mannopyranosylthio)ethyl]amino]-4-oxobutanoic acid tert-butyl ester

(3S)-3-[[(9H-フルオレン-9-イルメトキシ)カルボニル]アミノ]-4-[[(1S)-1-ベンジル-2-(2-O,3-O,4-O,6-O-テトラアセチル-α-D-マンノピラノシルチオ)エチル]アミノ]-4-オキソブタン酸tert-ブチル
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: C46H54N2O14S
Molecular formula furigana: C46-H54-N2-O14-S
Molecular weight: 891.000
InChI: InChI=1S/C46H54N2O14S/c1-26(49)56-24-38-40(58-27(2)50)41(59-28(3)51)42(60-29(4)52)44(61-38)63-25-31(21-30-15-9-8-10-16-30)47-43(54)37(22-39(53)62-46(5,6)7)48-45(55)57-23-36-34-19-13-11-17-32(34)33-18-12-14-20-35(33)36/h8-20,31,36-38,40-42,44H,21-25H2,1-7H3,(H,47,54)(H,48,55)/t31-,37-,38+,40+,41-,42-,44+/m0/s1
InChI key: OUISPTXYZAJCNA-PIXYUKMISA-N
SMILES: CC(=O)OC[C@H]1O[C@H](SC[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3c3ccccc23)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3):
  • (3S)-3-[[(9H-フルオレン-9-イルメトキシ)カルボニル]アミノ]-4-[[(1S)-1-ベンジル-2-(2-O,3-O,4-O,6-O-テトラアセチル-α-D-マンノピラノシルチオ)エチル]アミノ]-4-オキソブタン酸tert-ブチル
  • tert-ブチル (3S)-3-({[(9H-フルオレン-9-イル)メトキシ]カルボニル}アミノ)-3-{[(2S)-1-フェニル-3-{[(2R,3S,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]スルファニル}プロパン-2-イル]カルバモイル}プロパノアート
  • tert-butyl (3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{[(2S)-1-phenyl-3-{[(2R,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]sulfanyl}propan-2-yl]carbamoyl}propanoate
Other name (1):
  • (3S)-3-[[(9H-Fluorene-9-ylmethoxy)carbonyl]amino]-4-[[(1S)-1-benzyl-2-(2-O,3-O,4-O,6-O-tetraacetyl-α-D-mannopyranosylthio)ethyl]amino]-4-oxobutanoic acid tert-butyl ester
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