Chem
J-GLOBAL ID：200907097559580485   Nikkaji number：J1.448.483C

N-(9H-Fluorene-9-ylmethoxycarbonyl)-O-[2-(acetylamino)-3-O-(2-O,3-O,4-O,6-O-tetrabenzyl-β-D-galactopyranosyl)-4-O,6-O-benzylidene-2-deoxy-α-D-galactopyranosyl]-L-serine

N-(9H-フルオレン-9-イルメトキシカルボニル)-O-[2-(アセチルアミノ)-3-O-(2-O,3-O,4-O,6-O-テトラベンジル-β-D-ガラクトピラノシル)-4-O,6-O-ベンジリデン-2-デオキシ-α-D-ガラクトピラノシル]-L-セリン
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： C67H68N2O15
Molecular formula furigana： C67-H68-N2-O15
Molecular weight： 1141.280
InChI： InChI=1S/C67H68N2O15/c1-43(70)68-57-60(59-56(42-79-64(83-59)48-29-15-6-16-30-48)81-65(57)78-40-54(63(71)72)69-67(73)80-39-53-51-33-19-17-31-49(51)50-32-18-20-34-52(50)53)84-66-62(77-38-47-27-13-5-14-28-47)61(76-37-46-25-11-4-12-26-46)58(75-36-45-23-9-3-10-24-45)55(82-66)41-74-35-44-21-7-2-8-22-44/h2-34,53-62,64-66H,35-42H2,1H3,(H,68,70)(H,69,73)(H,71,72)/t54-,55+,56+,57+,58-,59-,60+,61-,62+,64?,65-,66-/m0/s1
InChI key： DFHRDLYULZNQEB-YQGOVSGQSA-N
SMILES： CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3c3ccccc23)C(=O)O)O[C@@H]2COC(O[C@@H]2[C@@H]1O[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)c1ccccc1
Systematic name  (4)：
  • N-(9H-フルオレン-9-イルメトキシカルボニル)-O-[3-O-(2-O,3-O,4-O,6-O-テトラベンジル-β-D-ガラクトピラノシル)-4-O,6-O-ベンジリデン-2-(アセチルアミノ)-2-デオキシ-α-D-ガラクトピラノシル]-L-セリン
  • N-(9H-フルオレン-9-イルメトキシカルボニル)-O-[2-(アセチルアミノ)-3-O-(2-O,3-O,4-O,6-O-テトラベンジル-β-D-ガラクトピラノシル)-4-O,6-O-ベンジリデン-2-デオキシ-α-D-ガラクトピラノシル]-L-セリン
  • (2S)-3-{[(4aR,6S,7R,8R,8aR)-7-アセトアミド-2-フェニル-8-{[(2R,3R,4S,5S,6R)-3,4,5-トリス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]オキサン-2-イル]オキシ}-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-6-イル]オキシ}-2-({[(9H-フルオレン-9-イル)メトキシ]カルボニル}アミノ)プロパン酸
  • (2S)-3-{[(4aR,6S,7R,8R,8aR)-7-acetamido-2-phenyl-8-{[(2R,3R,4S,5S,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
Other name (2)：
  • N-(9H-Fluorene-9-ylmethoxycarbonyl)-O-[3-O-(2-O,3-O,4-O,6-O-tetrabenzyl-β-D-galactopyranosyl)-4-O,6-O-benzylidene-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl]-L-serine
  • N-(9H-Fluorene-9-ylmethoxycarbonyl)-O-[2-(acetylamino)-3-O-(2-O,3-O,4-O,6-O-tetrabenzyl-β-D-galactopyranosyl)-4-O,6-O-benzylidene-2-deoxy-α-D-galactopyranosyl]-L-serine
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