Chem
J-GLOBAL ID：200907073129648349
Nikkaji number：J1.630.711D
(2R)-1,1′-Bis[N-(9H-fluorene-9-ylmethoxycarbonyl)-D-phenylalanyl]-2β,2′β-bis(hydroxymethyl)-8,8′-dibenzyl-1,1′,2,2′,3,3′,3a,3a′,8,8′,8aα,8a′α-dodecahydro-3aα,3a′α-bi[pyrrolo[2,3-b]indole]
(2R)-1,1′-ビス[N-(9H-フルオレン-9-イルメトキシカルボニル)-D-フェニルアラニル]-2β,2′β-ビス(ヒドロキシメチル)-8,8′-ジベンジル-1,1′,2,2′,3,3′,3a,3a′,8,8′,8aα,8a′α-ドデカヒドロ-3aα,3a′α-ビ[ピロロ[2,3-b]インドール]
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
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
Molecular formula： C84H76N6O8
Molecular formula furigana： C84-H76-N6-O8
Molecular weight： 1297.566
InChI：
InChI=1S/C84H76N6O8/c91-51-59-47-83(71-41-21-23-43-75(71)87(49-57-29-9-3-10-30-57)79(83)89(59)77(93)73(45-55-25-5-1-6-26-55)85-81(95)97-53-69-65-37-17-13-33-61(65)62-34-14-18-38-66(62)69)84-48-60(52-92)90(80(84)88(50-58-31-11-4-12-32-58)76-44-24-22-42-72(76)84)78(94)74(46-56-27-7-2-8-28-56)86-82(96)98-54-70-67-39-19-15-35-63(67)64-36-16-20-40-68(64)70/h1-44,59-60,69-70,73-74,79-80,91-92H,45-54H2,(H,85,95)(H,86,96)/t59-,60-,73-,74-,79+,80+,83-,84-/m1/s1
InChI key：
LEMQVZJUINPFAC-LJJAPBHASA-N
SMILES：
OC[C@H]1C[C@@]2([C@@H](N(Cc3ccccc3)c3ccccc23)N1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2c2ccccc12)[C@@]12C[C@H](CO)N([C@@H]1N(Cc1ccccc1)c1ccccc21)C(=O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2c2ccccc12
Systematic name (3)：
- (2R)-1,1′-ビス[N-(9H-フルオレン-9-イルメトキシカルボニル)-D-フェニルアラニル]-2β,2′β-ビス(ヒドロキシメチル)-8,8′-ジベンジル-1,1′,2,2′,3,3′,3a,3a′,8,8′,8aα,8a′α-ドデカヒドロ-3aα,3a′α-ビ[ピロロ[2,3-b]インドール]
- (9H-フルオレン-9-イル)メチル N-[(2R)-1-[(2R,3aS,8aS)-3a-[(2R,3aS,8aS)-8-ベンジル-1-[(2R)-2-({[(9H-フルオレン-9-イル)メトキシ]カルボニル}アミノ)-3-フェニルプロパノイル]-2-(ヒドロキシメチル)-1H,2H,3H,3aH,8H,8aH-ピロロ[2,3-b]インドール-3a-イル]-8-ベンジル-2-(ヒドロキシメチル)-1H,2H,3H,3aH,8H,8aH-ピロロ[2,3-b]インドール-1-イル]-1-オキソ-3-フェニルプロパン-2-イル]カルバマート
- (9H-fluoren-9-yl)methyl N-[(2R)-1-[(2R,3aS,8aS)-3a-[(2R,3aS,8aS)-8-benzyl-1-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-phenylpropanoyl]-2-(hydroxymethyl)-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl]-8-benzyl-2-(hydroxymethyl)-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
- (2R)-1,1′-Bis[N-(9H-fluorene-9-ylmethoxycarbonyl)-D-phenylalanyl]-2β,2′β-bis(hydroxymethyl)-8,8′-dibenzyl-1,1′,2,2′,3,3′,3a,3a′,8,8′,8aα,8a′α-dodecahydro-3aα,3a′α-bi[pyrrolo[2,3-b]indole]
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