Chem
J-GLOBAL ID：200907054068898172   Nikkaji number：J2.054.613A

Thiodione

チオジオン
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： C21H23N3O8S
Molecular formula furigana： C21-H23-N3-O8-S
Molecular weight： 477.490
InChI： InChI=1S/C21H23N3O8S/c1-10-17(28)11-4-2-3-5-12(11)18(29)19(10)33-9-14(20(30)23-8-16(26)27)24-15(25)7-6-13(22)21(31)32/h2-5,13-14H,6-9,22H2,1H3,(H,23,30)(H,24,25)(H,26,27)(H,31,32)/t13-,14-/m0/s1
InChI key： BWKXZXMVXPXYDF-KBPBESRZSA-N
SMILES： CC1=C(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)c2ccccc2C1=O
Systematic name  (5)：
  • γGlu-3-(3-メチル-1,4-ジオキソナフタレン-2-イルチオ)-Ala-Gly-OH
  • γGlu-S-(3-メチル-1,4-ジオキソナフタレン-2-イル)-Cys-Gly-OH
  • L-γGlu-S-(1,4-ジオキソ-3-メチル-2-ナフチル)-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-[(3-メチル-1,4-ジオキソ-1,4-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-[(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]ethyl]carbamoyl}butanoic acid
Other name (5)：
  • γGlu-3-(3-Methyl-1,4-dioxonaphthalene-2-ylthio)-Ala-Gly-OH
  • γGlu-S-(3-Methyl-1,4-dioxonaphthalene-2-yl)-Cys-Gly-OH
  • L-γGlu-S-(1,4-Dioxo-3-methyl-2-naphthyl)-L-Cys-Gly-OH
  • チオジオン
  • Thiodione
Thsaurus map：
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