Chem
J-GLOBAL ID:200907047947674338   Nikkaji number:J738.877B

5-S-Glutathionyl-β-alanyl-L-dopa

5-S-グルタチオニル-N-β-アラニル-L-ドーパ
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: C22H31N5O11S
Molecular formula furigana: C22-H31-N5-O11-S
Molecular weight: 573.570
InChI: InChI=1S/C22H31N5O11S/c23-4-3-17(30)26-12(22(37)38)5-10-6-14(28)19(33)15(7-10)39-9-13(20(34)25-8-18(31)32)27-16(29)2-1-11(24)21(35)36/h6-7,11-13,28,33H,1-5,8-9,23-24H2,(H,25,34)(H,26,30)(H,27,29)(H,31,32)(H,35,36)(H,37,38)/t11-,12-,13-/m0/s1
InChI key: YMBAJJVBBYVETD-AVGNSLFASA-N
SMILES: NCCC(=O)N[C@@H](Cc1cc(O)c(O)c(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c1)C(=O)O
Systematic name  (5):
  • L-γGlu-S-[5-[(S)-2-カルボキシ-2-[(3-アミノプロピオニル)アミノ]エチル]-2,3-ジヒドロキシフェニル]-L-Cys-Gly-OH
  • L-γGlu-S-[2,3-ジヒドロキシ-5-[(S)-2-(β-アラニルアミノ)-2-カルボキシエチル]フェニル]-L-Cys-Gly-OH
  • L-γGlu-S-[2,3-ジヒドロキシ-5-[(S)-2-[(β-アラニル)アミノ]-3-オキソ-3-ヒドロキシプロピル]フェニル]-L-Cys-Gly-OH
  • (2S)-2-アミノ-4-{[(1R)-2-({5-[(2S)-2-(3-アミノプロパンアミド)-2-カルボキシエチル]-2,3-ジヒドロキシフェニル}スルファニル)-1-[(カルボキシメチル)カルバモイル]エチル]カルバモイル}ブタン酸
  • (2S)-2-amino-4-{[(1R)-2-({5-[(2S)-2-(3-aminopropanamido)-2-carboxyethyl]-2,3-dihydroxyphenyl}sulfanyl)-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid
Other name (5):
  • L-γGlu-S-[5-[(S)-2-Carboxy-2-[(3-aminopropionyl)amino]ethyl]-2,3-dihydroxyphenyl]-L-Cys-Gly-OH
  • L-γGlu-S-[2,3-Dihydroxy-5-[(S)-2-[(β-alanyl)amino]-3-oxo-3-hydroxypropyl]phenyl]-L-Cys-Gly-OH
  • L-γGlu-S-[2,3-Dihydroxy-5-[(S)-2-(β-alanylamino)-2-carboxyethyl]phenyl]-L-Cys-Gly-OH
  • 5-S-グルタチオニル-N-β-アラニル-L-ドーパ
  • 5-S-Glutathionyl-β-alanyl-L-dopa
Thsaurus map:

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