CHEBI:133947 - amoxicilloyl-butylamine sodium salt

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ChEBI Name amoxicilloyl-butylamine sodium salt ChEBI ID CHEBI:133947 Definition An organic sodium salt that is the monosodium salt of amoxicilloyl-butylamine. 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 C20H29N4NaO5S Net Charge 0 Average Mass 460.525 Monoisotopic Mass 460.17564 InChI InChI=1S/C20H30N4O5S.Na/c1-4-5-10-22-17(27)14(18-24-15(19(28)29)20(2,3)30-18)23-16(26)13(21)11-6-8-12(25)9-7-11;/h6-9,13-15,18,24-25H,4-5,10,21H2,1-3H3,(H,22,27)(H,23,26)(H,28,29);/q;+1/p-1/t13-,14-,15+,18-;/m1./s1 InChIKey QGHJYTIYZHBRHC-GLCLSGQWSA-M SMILES N1[C@H](C(S[C@]1([H])[C@H](NC([C@@H](C2=CC=C(C=C2)O)N)=O)C(=O)NCCCC)(C)C)C([O-])=O.[Na+] ChEBI Ontology Outgoing amoxicilloyl-butylamine sodium salt (CHEBI:133947) has part amoxicilloyl-butylamine(1−) (CHEBI:133945) amoxicilloyl-butylamine sodium salt (CHEBI:133947) is a organic sodium salt (CHEBI:38700) IUPAC Name sodium (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-(butylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate Synonyms Sources AXO-BA Na salt ChEBI AXO-BA sodium salt ChEBI Citation Type Source 27731424 PubMed citation Europe PMC Last Modified 14 November 2016