Chem
J-GLOBAL ID：200907019211773386   Nikkaji number：J2.295.037A

(2S)-2-[(2,4-Dinitrophenyl)sulfonylamino]-3-[2-(1-methyl-1,2-propadienyl)-1H-indole-3-yl]propionic acid methyl ester

メチル (2S)-3-[2-(ブタ-2,3-ジエン-2-イル)-1H-インドール-3-イル]-2-(2,4-ジニトロベンゼンスルホンアミド)プロパノアート
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： C22H20N2[N+]2O6[O-]2S
Molecular formula furigana： C22-H20-N4-O8-S
Molecular weight： 500.480
InChI： InChI=1S/C22H20N4O8S/c1-4-13(2)21-16(15-7-5-6-8-17(15)23-21)12-18(22(27)34-3)24-35(32,33)20-10-9-14(25(28)29)11-19(20)26(30)31/h5-11,18,23-24H,1,12H2,2-3H3/t18-/m0/s1
InChI key： QUXPVJYBGLVREQ-SFHVURJKSA-N
SMILES： COC(=O)[C@H](Cc1c([nH]c2ccccc12)C(=C=C)C)NS(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (3)：
  • (2S)-2-[(2,4-ジニトロフェニル)スルホニルアミノ]-3-[2-(1-メチル-1,2-プロパジエニル)-1H-インドール-3-イル]プロピオン酸メチル
  • メチル (2S)-3-[2-(ブタ-2,3-ジエン-2-イル)-1H-インドール-3-イル]-2-(2,4-ジニトロベンゼンスルホンアミド)プロパノアート
  • methyl (2S)-3-[2-(buta-2,3-dien-2-yl)-1H-indol-3-yl]-2-(2,4-dinitrobenzenesulfonamido)propanoate
Other name (1)：
  • (2S)-2-[(2,4-Dinitrophenyl)sulfonylamino]-3-[2-(1-methyl-1,2-propadienyl)-1H-indole-3-yl]propionic acid methyl ester
Thsaurus map：
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