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CHEBI:41530 - 2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID

Default Structure
ChEBI IDCHEBI:41530
ChEBI Name2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC30H32N2O8
Net Charge0
Average Mass548.592
Monoisotopic Mass548.21587
SMILES[H]OC(=O)C(Oc1c([H])c([H])c(C([H])([H])C(=O)N([H])c2c([H])c([H])c([H])c(N([H])C(=O)C([H])([H])c3c([H])c([H])c(OC(C(=O)O[H])(C([H])([H])[H])C([H])([H])[H])c([H])c3[H])c2[H])c([H])c1[H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C30H32N2O8/c1-29(2,27(35)36)39-23-12-8-19(9-13-23)16-25(33)31-21-6-5-7-22(18-21)32-26(34)17-20-10-14-24(15-11-20)40-30(3,4)28(37)38/h5-15,18H,16-17H2,1-4H3,(H,31,33)(H,32,34)(H,35,36)(H,37,38)
InChIKeyQRJRPWUABHMWAG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID (CHEBI:41530) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2,2'-{benzene-1,3-diylbis[imino(2-oxoethane-2,1-diyl)benzene-4,1-diyloxy]}bis(2-methylpropanoic acid)PDBeChem
2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACIDPDBeChem
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