Chem
J-GLOBAL ID：201007021314632140   Nikkaji number：J2.789.442I

1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene

1-ニトロ-5-ヒドロキシ-6-グルタチオニル-5,6-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/c21-12(20(30)31)5-7-16(25)23-13(19(29)22-8-17(26)27)9-34-15-6-4-10-11(18(15)28)2-1-3-14(10)24(32)33/h1-4,6,12-13,15,18,28H,5,7-9,21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)/t12-,13-,15?,18?/m0/s1
InChI key： SFJZEQDXMXSLGC-RJXQQRCHSA-N
SMILES： N[C@@H](CCC(=O)N[C@@H](CSC1C=Cc2c(cccc2[N+](=O)[O-])C1O)C(=O)NCC(=O)O)C(=O)O
Systematic name  (3)：
  • L-γGlu-S-(1,2-ジヒドロ-1-ヒドロキシ-5-ニトロナフタレン-2-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-[(1-ヒドロキシ-5-ニトロ-1,2-ジヒドロナフタレン-2-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-[(1-hydroxy-5-nitro-1,2-dihydronaphthalen-2-yl)sulfanyl]ethyl]carbamoyl}butanoic acid
Other name (3)：
  • L-γGlu-S-(1,2-Dihydro-1-hydroxy-5-nitronaphthalene-2-yl)-L-Cys-Gly-OH
  • 1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene
  • 1-ニトロ-5-ヒドロキシ-6-グルタチオニル-5,6-ジヒドロナフタレン
KEGG COMPOUND： C14805
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