Chem
J-GLOBAL ID：200907041769168948   Nikkaji number：J1.266.445A

(2S)-4-Phenyl-2-[[(S)-1-[[(3S,5S)-5-hydroxycarbonylspiro[pyrrolidine-3,2′-bicyclo[2.2.2]octane]-1-yl]carbonyl]ethyl]amino]butanoic acid

(2S,5'S)-1'-[(2S)-2-{[(1S)-1-カルボキシ-3-フェニルプロピル]アミノ}プロパノイル]スピロ[ビシクロ[2.2.2]オクタン-2,3'-ピロリジン]-5'-カルボン酸
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： C25H34N2O5
Molecular formula furigana： C25-H34-N2-O5
Molecular weight： 442.556
InChI： InChI=1S/C25H34N2O5/c1-16(26-20(23(29)30)12-9-17-5-3-2-4-6-17)22(28)27-15-25(14-21(27)24(31)32)13-18-7-10-19(25)11-8-18/h2-6,16,18-21,26H,7-15H2,1H3,(H,29,30)(H,31,32)/t16-,18?,19?,20-,21-,25+/m0/s1
InChI key： YMZSFXSZILMBEA-NCXZGNOYSA-N
SMILES： C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1C[C@]2(C[C@H]1C(=O)O)CC1CCC2CC1
Systematic name  (3)：
  • (2S)-4-フェニル-2-[[(S)-1-[[(3S,5S)-5-ヒドロキシカルボニルスピロ[ピロリジン-3,2′-ビシクロ[2.2.2]オクタン]-1-イル]カルボニル]エチル]アミノ]ブタン酸
  • (2S,5'S)-1'-[(2S)-2-{[(1S)-1-カルボキシ-3-フェニルプロピル]アミノ}プロパノイル]スピロ[ビシクロ[2.2.2]オクタン-2,3'-ピロリジン]-5'-カルボン酸
  • (2S,5'S)-1'-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]spiro[bicyclo[2.2.2]octane-2,3'-pyrrolidine]-5'-carboxylic acid
Other name (1)：
  • (2S)-4-Phenyl-2-[[(S)-1-[[(3S,5S)-5-hydroxycarbonylspiro[pyrrolidine-3,2′-bicyclo[2.2.2]octane]-1-yl]carbonyl]ethyl]amino]butanoic acid
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