Chem
J-GLOBAL ID:200907038954489636   Nikkaji number:J1.433.259F

2,2,4,4-Tetramethyloxazolidine-3-carboxylic acid (1R,2S,3S)-1-[(S)-1-(dibenzylamino)-3-methylbutyl]-2-hydroxy-3-(dibenzylamino)-4-phenylbutyl ester

(2S,3S,4R,5S)-2,5-ビス(ジベンジルアミノ)-3-ヒドロキシ-7-メチル-1-フェニルオクタン-4-イル 2,2,4,4-テトラメチル-1,3-オキサゾリジン-3-カルボキシラート
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: C51H63N3O4
Molecular formula furigana: C51-H63-N3-O4
Molecular weight: 782.082
InChI: InChI=1S/C51H63N3O4/c1-39(2)32-46(53(36-43-28-18-10-19-29-43)37-44-30-20-11-21-31-44)48(58-49(56)54-50(3,4)38-57-51(54,5)6)47(55)45(33-40-22-12-7-13-23-40)52(34-41-24-14-8-15-25-41)35-42-26-16-9-17-27-42/h7-31,39,45-48,55H,32-38H2,1-6H3/t45-,46-,47-,48+/m0/s1
InChI key: PWLCWUWHBSJGPP-CJXWJHJYSA-N
SMILES: CC(C)C[C@@H]([C@@H](OC(=O)N1C(C)(C)COC1(C)C)[C@@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
Systematic name  (3):
  • 2,2,4,4-テトラメチルオキサゾリジン-3-カルボン酸(1R,2S,3S)-1-[(S)-1-(ジベンジルアミノ)-3-メチルブチル]-2-ヒドロキシ-3-(ジベンジルアミノ)-4-フェニルブチル
  • (2S,3S,4R,5S)-2,5-ビス(ジベンジルアミノ)-3-ヒドロキシ-7-メチル-1-フェニルオクタン-4-イル 2,2,4,4-テトラメチル-1,3-オキサゾリジン-3-カルボキシラート
  • (2S,3S,4R,5S)-2,5-bis(dibenzylamino)-3-hydroxy-7-methyl-1-phenyloctan-4-yl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
Other name (1):
  • 2,2,4,4-Tetramethyloxazolidine-3-carboxylic acid (1R,2S,3S)-1-[(S)-1-(dibenzylamino)-3-methylbutyl]-2-hydroxy-3-(dibenzylamino)-4-phenylbutyl ester
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