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CHEBI:176785 - benzylpenicilloyl-butylamine sodium

ChEBI IDCHEBI:176785
ChEBI Namebenzylpenicilloyl-butylamine sodium
Stars
DefinitionThe organic sodium salt of the (5R,6R)-benzylpenicilloyl-butylamine conjugate.
Last Modified8 July 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H28N3O4S.Na
Net Charge0
Average Mass429.518
Monoisotopic Mass429.16982
SMILES[H][C@@]1([C@H](NC(=O)Cc2ccccc2)C(=O)NCCCC)N[C@@H](C(=O)[O-])C(C)(C)S1.[Na+]
InChIInChI=1S/C20H29N3O4S.Na/c1-4-5-11-21-17(25)15(18-23-16(19(26)27)20(2,3)28-18)22-14(24)12-13-9-7-6-8-10-13;/h6-10,15-16,18,23H,4-5,11-12H2,1-3H3,(H,21,25)(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,18-;/m1./s1
InChIKeyOFDOPXWAGZHKSJ-PNQHFFRLSA-M
ChEBI Ontology
Outgoing Relation(s)
benzylpenicilloyl-butylamine sodium (CHEBI:176785) has part benzylpenicilloyl-butylamine(1−) (CHEBI:176775)
benzylpenicilloyl-butylamine sodium (CHEBI:176785) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium (2R,4S)-2-[(1R)-2-(butylamino)-2-oxo-1-(2-phenylacetamido)ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
Synonyms  Source
sodium (2R,4S)-2-{(1R)-2-(butylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylateIUPAC
sodium benzylpenicilloyl-butylamine conjugateChEBI
(5R,6R)-Bu-BPO-NaChEBI
monosodium benzylpenicilloyl-butylamineChEBI
monosodium benzylpenicilloyl-butylamine conjugateChEBI
Citations