Chem
J-GLOBAL ID:200907025446049030   Nikkaji number:J2.045.865H

N-[[(1α,4α)-2-(Phenylsulfonyl)-2-azabicyclo[2.2.2]octan-3α-yl]carbonyl]-4-phthalimidyl-L-phenylalanine

N-[[(1α,4α)-2-(フェニルスルホニル)-2-アザビシクロ[2.2.2]オクタン-3α-イル]カルボニル]-4-フタルイミジル-L-フェニルアラニン
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: C31H29N3O7S
Molecular formula furigana: C31-H29-N3-O7-S
Molecular weight: 587.650
InChI: InChI=1S/C31H29N3O7S/c35-28(27-20-12-16-22(17-13-20)34(27)42(40,41)23-6-2-1-3-7-23)32-26(31(38)39)18-19-10-14-21(15-11-19)33-29(36)24-8-4-5-9-25(24)30(33)37/h1-11,14-15,20,22,26-27H,12-13,16-18H2,(H,32,35)(H,38,39)/t20-,22+,26-,27-/m0/s1
InChI key: JZFJNTFYXXDWCM-DRTLDKAOSA-N
SMILES: OC(=O)[C@H](Cc1ccc(cc1)N1C(=O)c2ccccc2C1=O)NC(=O)[C@@H]1[C@H]2CC[C@H](CC2)N1S(=O)(=O)c1ccccc1
Systematic name  (3):
  • N-[[(1α,4α)-2-(フェニルスルホニル)-2-アザビシクロ[2.2.2]オクタン-3α-イル]カルボニル]-4-フタルイミジル-L-フェニルアラニン
  • (2S)-3-[4-(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)フェニル]-2-{[(1R,3S,4s)-2-(ベンゼンスルホニル)-2-アザビシクロ[2.2.2]オクタン-3-イル]ホルムアミド}プロパン酸
  • (2S)-3-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-2-{[(1R,3S,4s)-2-(benzenesulfonyl)-2-azabicyclo[2.2.2]octan-3-yl]formamido}propanoic acid
Other name (1):
  • N-[[(1α,4α)-2-(Phenylsulfonyl)-2-azabicyclo[2.2.2]octan-3α-yl]carbonyl]-4-phthalimidyl-L-phenylalanine
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