Chem
J-GLOBAL ID：201007095392420462   Nikkaji number：J2.789.435F

1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene

1-ニトロ-7-ヒドロキシ-8-グルタチオニル-7,8-ジヒドロナフタレン
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： C20H24N3[N+]O8[O-]S
Molecular formula furigana： C20-H24-N4-O9-S
Molecular weight： 496.490
InChI： InChI=1S/C20H24N4O9S/c21-11(20(30)31)5-7-15(26)23-12(19(29)22-8-16(27)28)9-34-18-14(25)6-4-10-2-1-3-13(17(10)18)24(32)33/h1-4,6,11-12,14,18,25H,5,7-9,21H2,(H,22,29)(H,23,26)(H,27,28)(H,30,31)/t11-,12-,14?,18?/m0/s1
InChI key： RQCSOWVLCHNLLC-WXFCVCCESA-N
SMILES： N[C@@H](CCC(=O)N[C@@H](CSC1C(O)C=Cc2cccc(c12)[N+](=O)[O-])C(=O)NCC(=O)O)C(=O)O
Systematic name  (3)：
  • L-γGlu-S-(1,2-ジヒドロ-2-ヒドロキシ-8-ニトロナフタレン-1-イル)-L-Cys-Gly-OH
  • (2S)-2-アミノ-4-{[(1R)-1-[(カルボキシメチル)カルバモイル]-2-[(2-ヒドロキシ-8-ニトロ-1,2-ジヒドロナフタレン-1-イル)スルファニル]エチル]カルバモイル}ブタン酸
  • (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(2-hydroxy-8-nitro-1,2-dihydronaphthalen-1-yl)sulfanyl]ethyl]carbamoyl}butanoic acid
Other name (3)：
  • L-γGlu-S-(1,2-Dihydro-2-hydroxy-8-nitronaphthalene-1-yl)-L-Cys-Gly-OH
  • 1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene
  • 1-ニトロ-7-ヒドロキシ-8-グルタチオニル-7,8-ジヒドロナフタレン
KEGG COMPOUND： C14803
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