CHEBI:71526 - N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-β-alanine

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ChEBI Name N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-β-alanine ChEBI ID CHEBI:71526 ChEBI ASCII Name N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-beta-alanine Definition A benzenedicarboxamide in which one nitrogen forms the β-nitogen of β-alanine and the other is the N of 2,3,3a,4,7,7a-hexahydro-1H-isoindole. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H22N2O4 Net Charge 0 Average Mass 342.38900 Monoisotopic Mass 342.15796 InChI InChI=1S/C19H22N2O4/c22-17(23)9-10-20-18(24)13-5-7-14(8-6-13)19(25)21-11-15-3-1-2-4-16(15)12-21/h1-2,5-8,15-16H,3-4,9-12H2,(H,20,24)(H,22,23) InChIKey ZNHOXFODVISWMP-UHFFFAOYSA-N SMILES OC(=O)CCNC(=O)c1ccc(cc1)C(=O)N1CC2CC=CCC2C1 ChEBI Ontology Outgoing N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-β-alanine (CHEBI:71526) has functional parent β-alanine (CHEBI:16958) N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-β-alanine (CHEBI:71526) has functional parent terephthalamide (CHEBI:38802) N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-β-alanine (CHEBI:71526) is a benzenedicarboxamide (CHEBI:38800) IUPAC Name N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-β-alanine Synonym Source 3-{[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]amino}propanoic acid IUPAC Citation Type Source 9506942 PubMed citation Europe PMC Last Modified 04 January 2013