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CHEBI:133945 - amoxicilloyl-butylamine(1−)

ChEBI IDCHEBI:133945
ChEBI Nameamoxicilloyl-butylamine(1−)
Stars
ASCII Nameamoxicilloyl-butylamine(1-)
DefinitionA thiazolidinemonocarboxylate formed by proton loss from the carboxy group of amoxicilloyl-butylamine.
Last Modified14 November 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H29N4O5S
Net Charge-1
Average Mass437.542
Monoisotopic Mass437.18641
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
InChIInChI=1S/C20H30N4O5S/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)/p-1/t13-,14-,15+,18-/m1/s1
InChIKeySHISHHBVUCCUJC-ZXFNITATSA-M
ChEBI Ontology
Outgoing Relation(s)
amoxicilloyl-butylamine(1−) (CHEBI:133945) is a thiazolidinemonocarboxylate (CHEBI:133946)
amoxicilloyl-butylamine(1−) (CHEBI:133945) is conjugate base of amoxicilloyl-butylamine (CHEBI:55470)
Incoming Relation(s)
amoxicilloyl-butylamine sodium salt (CHEBI:133947) has part amoxicilloyl-butylamine(1−) (CHEBI:133945)
amoxicilloyl-butylamine (CHEBI:55470) is conjugate acid of amoxicilloyl-butylamine(1−) (CHEBI:133945)
IUPAC Name 
(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(1−)ChEBI
AX-BA(1−)ChEBI