Chem
J-GLOBAL ID：200907095044973490   Nikkaji number：J2.295.044D

(2S)-2-[2-Butynyl[(2,4-dinitrophenyl)sulfonyl]amino]-3-(1H-indole-3-yl)propionic acid methyl ester

(2S)-2-[2-ブチニル[(2,4-ジニトロフェニル)スルホニル]アミノ]-3-(1H-インドール-3-イル)プロピオン酸メチル
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： C22H20N2[N+]2O6[O-]2S
Molecular formula furigana： C22-H20-N4-O8-S
Molecular weight： 500.480
InChI： InChI=1S/C22H20N4O8S/c1-3-4-11-24(35(32,33)21-10-9-16(25(28)29)13-19(21)26(30)31)20(22(27)34-2)12-15-14-23-18-8-6-5-7-17(15)18/h5-10,13-14,20,23H,11-12H2,1-2H3/t20-/m0/s1
InChI key： PZYBTWCKZANZNC-FQEVSTJZSA-N
SMILES： COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(CC#CC)S(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (3)：
  • (2S)-2-[2-ブチニル[(2,4-ジニトロフェニル)スルホニル]アミノ]-3-(1H-インドール-3-イル)プロピオン酸メチル
  • メチル (2S)-2-[N-(ブタ-2-イン-1-イル)2,4-ジニトロベンゼンスルホンアミド]-3-(1H-インドール-3-イル)プロパノアート
  • methyl (2S)-2-[N-(but-2-yn-1-yl)2,4-dinitrobenzenesulfonamido]-3-(1H-indol-3-yl)propanoate
Other name (1)：
  • (2S)-2-[2-Butynyl[(2,4-dinitrophenyl)sulfonyl]amino]-3-(1H-indole-3-yl)propionic acid methyl ester
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