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CHEBI:39966 - 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER

Default Structure
ChEBI IDCHEBI:39966
ChEBI Name2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC25H30N2O10
Net Charge0
Average Mass518.519
Monoisotopic Mass518.19005
SMILES[H]OC(=O)C([H])([H])Oc1c([H])c([H])c(C([H])([H])[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])Oc2c([H])c([H])c([H])c(O[H])c2C(=O)OC([H])([H])[H])N([H])C(=O)C([H])([H])[H])c([H])c1O[H]
InChIInChI=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
InChIKeyQEANZBIJPCAREV-KRWDZBQOSA-N
ChEBI Ontology
Outgoing Relation(s)
2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER (CHEBI:39966) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTERPDBeChem
{4-[(2S)-2-(acetylamino)-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]-2-hydroxyphenoxy}acetic acidPDBeChem
Manual XrefsDatabases
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