Chem
J-GLOBAL ID：200907090587340100   Nikkaji number：J886.507H

L-γGlu-S-[5-[2-(β-Alanylamino)-2-carboxyethyl]-2,3-dihydroxyphenyl]-L-Cys-Gly-OH

L-γGlu-S-[5-[2-(β-アラニルアミノ)-2-カルボキシエチル]-2,3-ジヒドロキシフェニル]-L-Cys-Gly-OH
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-RXTYADHFSA-N
SMILES： NCCC(=O)NC(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  (3)：
  • L-γGlu-S-[5-[2-(β-アラニルアミノ)-2-カルボキシエチル]-2,3-ジヒドロキシフェニル]-L-Cys-Gly-OH
  • (2S)-2-アミノ-4-{[(1R)-2-({5-[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-[2-(3-aminopropanamido)-2-carboxyethyl]-2,3-dihydroxyphenyl}sulfanyl)-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid
Other name (1)：
  • L-γGlu-S-[5-[2-(β-Alanylamino)-2-carboxyethyl]-2,3-dihydroxyphenyl]-L-Cys-Gly-OH
Thsaurus map：
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