Chem
J-GLOBAL ID:200907050570263800   Nikkaji number:J2.587.398J

3α-[[(4R,5R)-1,3-Bis(phenylsulfonyl)-4α,5β-butano-2-phosphaimidazolidine-2-yl]oxy]-4β-[[(4S,5S)-1,3-bis(4-methylphenylsulfonyl)-4β,5α-butano-2-phosphaimidazolidine-2-yl]oxy][(3S,4S)-1-benzylpyrrolidine]

3α-[[(4R,5R)-1,3-ビス(フェニルスルホニル)-4α,5β-ブタノ-2-ホスファイミダゾリジン-2-イル]オキシ]-4β-[[(4S,5S)-1,3-ビス(4-メチルフェニルスルホニル)-4β,5α-ブタノ-2-ホスファイミダゾリジン-2-イル]オキシ][(3S,4S)-1-ベンジルピロリジン]
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: C49H57N5O10P2S4
Molecular formula furigana: C49-H57-N5-O10-P2-S4
Molecular weight: 1066.210
InChI: InChI=1S/C49H57N5O10P2S4/c1-37-26-30-42(31-27-37)69(59,60)53-46-24-14-15-25-47(46)54(70(61,62)43-32-28-38(2)29-33-43)66(53)64-49-36-50(34-39-16-6-3-7-17-39)35-48(49)63-65-51(67(55,56)40-18-8-4-9-19-40)44-22-12-13-23-45(44)52(65)68(57,58)41-20-10-5-11-21-41/h3-11,16-21,26-33,44-49H,12-15,22-25,34-36H2,1-2H3/t44-,45-,46+,47+,48+,49+/m1/s1
InChI key: MPJZMHMSJLYYIN-IACAGKEYSA-N
SMILES: Cc1ccc(cc1)S(=O)(=O)N1[C@H]2CCCC[C@@H]2N(P1O[C@H]1CN(Cc2ccccc2)C[C@@H]1OP1N([C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Systematic name  (3):
  • 3α-[[(4R,5R)-1,3-ビス(フェニルスルホニル)-4α,5β-ブタノ-2-ホスファイミダゾリジン-2-イル]オキシ]-4β-[[(4S,5S)-1,3-ビス(4-メチルフェニルスルホニル)-4β,5α-ブタノ-2-ホスファイミダゾリジン-2-イル]オキシ][(3S,4S)-1-ベンジルピロリジン]
  • (3aS,7aS)-2-{[(3S,4S)-4-{[(3aR,7aR)-1,3-ビス(ベンゼンスルホニル)-オクタヒドロ-1H-1,3,2-ベンゾジアザホスホール-2-イル]オキシ}-1-ベンジルピロリジン-3-イル]オキシ}-1,3-ビス(4-メチルベンゼンスルホニル)-オクタヒドロ-1H-1,3,2-ベンゾジアザホスホール
  • (3aS,7aS)-2-{[(3S,4S)-4-{[(3aR,7aR)-1,3-bis(benzenesulfonyl)-octahydro-1H-1,3,2-benzodiazaphosphol-2-yl]oxy}-1-benzylpyrrolidin-3-yl]oxy}-1,3-bis(4-methylbenzenesulfonyl)-octahydro-1H-1,3,2-benzodiazaphosphole
Other name (1):
  • 3α-[[(4R,5R)-1,3-Bis(phenylsulfonyl)-4α,5β-butano-2-phosphaimidazolidine-2-yl]oxy]-4β-[[(4S,5S)-1,3-bis(4-methylphenylsulfonyl)-4β,5α-butano-2-phosphaimidazolidine-2-yl]oxy][(3S,4S)-1-benzylpyrrolidine]
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