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CHEBI:133947 - amoxicilloyl-butylamine sodium salt

ChEBI IDCHEBI:133947
ChEBI Nameamoxicilloyl-butylamine sodium salt
Stars
DefinitionAn organic sodium salt that is the monosodium salt of amoxicilloyl-butylamine.
Last Modified14 November 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H29N4O5S.Na
Net Charge0
Average Mass460.532
Monoisotopic Mass460.17564
SMILES[H][C@@]1([C@H](NC(=O)[C@H](N)c2ccc(O)cc2)C(=O)NCCCC)N[C@@H](C(=O)[O-])C(C)(C)S1.[Na+]
InChIInChI=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
InChIKeyQGHJYTIYZHBRHC-GLCLSGQWSA-M
ChEBI Ontology
Outgoing Relation(s)
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  Source
AXO-BA sodium saltChEBI
AXO-BA Na saltChEBI
Citations