Chem
J-GLOBAL ID:200907050792036624   Nikkaji number:J1.251.138H

2,5-Bis(S-glutathionyl)-α-methyldopamine

2,5-ビス(S-グルタチオニル)-α-メチルドーパミン
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: C29H43N7O14S2
Molecular formula furigana: C29-H43-N7-O14-S2
Molecular weight: 777.820
InChI: InChI=1S/C29H43N7O14S2/c1-12(30)6-13-7-18(51-10-16(26(45)33-8-21(39)40)35-19(37)4-2-14(31)28(47)48)23(43)24(44)25(13)52-11-17(27(46)34-9-22(41)42)36-20(38)5-3-15(32)29(49)50/h7,12,14-17,43-44H,2-6,8-11,30-32H2,1H3,(H,33,45)(H,34,46)(H,35,37)(H,36,38)(H,39,40)(H,41,42)(H,47,48)(H,49,50)/t12?,14-,15-,16+,17+/m0/s1
InChI key: RBQVUVCGHFXMIS-YIDYYXRPSA-N
SMILES: CC(N)Cc1cc(SC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c(O)c(O)c1SC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
Systematic name  (3):
  • 3,6-ビス[[(S)-2-(L-γ-グルタミルアミノ)-3-(カルボキシメチルアミノ)-3-オキソプロピル]チオ]-4-(2-アミノプロピル)-1,2-ベンゼンジオール
  • (2S)-2-アミノ-4-{[(1S)-2-[(4-{[(2S)-2-[(4S)-4-アミノ-4-カルボキシブタンアミド]-2-[(カルボキシメチル)カルバモイル]エチル]スルファニル}-5-(2-アミノプロピル)-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-{[(1S)-2-[(4-{[(2S)-2-[(4S)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-5-(2-aminopropyl)-2,3-dihydroxyphenyl)sulfanyl]-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid
Other name (3):
  • 3,6-Bis[[(S)-2-(L-γ-glutamylamino)-3-(carboxymethylamino)-3-oxopropyl]thio]-4-(2-aminopropyl)-1,2-benzenediol
  • 2,5-ビス(S-グルタチオニル)-α-メチルドーパミン
  • 2,5-Bis(S-glutathionyl)-α-methyldopamine
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