Chem
J-GLOBAL ID:200907008468997470
Nikkaji number:J2.036.353C
2-[4-[[(2S)-2-(Acetylamino)-3-[3-hydroxy-4-(2-oxo-2-hydroxyethoxy)phenyl]propionyl]amino]butoxy]-6-hydroxybenzoic acid methyl ester
2-{4-[(2S)-2-アセトアミド-2-({4-[3-ヒドロキシ-2-(メトキシカルボニル)フェノキシ]ブチル}カルバモイル)エチル]-2-ヒドロキシフェノキシ}酢酸
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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:
C25 H30 N2 O10
Molecular formula furigana:
C25-H30-N2-O10
Molecular weight:
518.519
InChI:
InChI=1S/C25H30N2O10/c1-15(28)27-17(12-16-8-9-20(19(30)13-16)37-14-22(31)32)24(33)26-10-3-4-11-36-21-7-5-6-18(29)23(21)25(34)35-2/h5-9,13,17,29-30H,3-4,10-12,14H2,1-2H3,(H,26,33)(H,27,28)(H,31,32)/t17-/m0/s1
InChI key:
QEANZBIJPCAREV-KRWDZBQOSA-N
SMILES:
COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)O)c(O)c1)NC(=O)C
Systematic name (3):
2-[4-[[(2S)-2-(アセチルアミノ)-3-[3-ヒドロキシ-4-(2-オキソ-2-ヒドロキシエトキシ)フェニル]プロピオニル]アミノ]ブトキシ]-6-ヒドロキシ安息香酸メチル
2-{4-[(2S)-2-アセトアミド-2-({4-[3-ヒドロキシ-2-(メトキシカルボニル)フェノキシ]ブチル}カルバモイル)エチル]-2-ヒドロキシフェノキシ}酢酸
2-{4-[(2S)-2-acetamido-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}carbamoyl)ethyl]-2-hydroxyphenoxy}acetic acid
Other name (1):
2-[4-[[(2S)-2-(Acetylamino)-3-[3-hydroxy-4-(2-oxo-2-hydroxyethoxy)phenyl]propionyl]amino]butoxy]-6-hydroxybenzoic acid methyl ester
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