Chem
J-GLOBAL ID：200907091931785929
Nikkaji number：J1.035.720I
3-[[(S)-2-(L-γ-Glutamylamino)-3-(carboxymethylamino)-3-oxopropyl]thio]-5-(2-aminoethyl)-1,2-benzenediol
3-[[(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]-5-(2-アミノエチル)-1,2-ベンゼンジオール
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
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
Molecular formula： C18H26N4O8S
Molecular formula furigana： C18-H26-N4-O8-S
Molecular weight： 458.490
InChI：
InChI=1S/C18H26N4O8S/c19-4-3-9-5-12(23)16(27)13(6-9)31-8-11(17(28)21-7-15(25)26)22-14(24)2-1-10(20)18(29)30/h5-6,10-11,23,27H,1-4,7-8,19-20H2,(H,21,28)(H,22,24)(H,25,26)(H,29,30)/t10-,11+/m0/s1
InChI key：
YTAAHCYRCMYQCJ-WDEREUQCSA-N
SMILES：
NCCc1cc(O)c(O)c(SC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c1
Systematic name (3)：
- 3-[[(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]-5-(2-アミノエチル)-1,2-ベンゼンジオール
- (2S)-2-アミノ-4-{[(1S)-2-{[5-(2-アミノエチル)-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-{[(1S)-2-{[5-(2-aminoethyl)-2,3-dihydroxyphenyl]sulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid
- 3-[[(S)-2-(L-γ-Glutamylamino)-3-(carboxymethylamino)-3-oxopropyl]thio]-5-(2-aminoethyl)-1,2-benzenediol
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