CHEBI:176785 - benzylpenicilloyl-butylamine sodium

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ChEBI Name benzylpenicilloyl-butylamine sodium ChEBI ID CHEBI:176785 Definition The organic sodium salt of the (5R,6R)-benzylpenicilloyl-butylamine conjugate. 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 C20H28N3O4S.Na Net Charge 0 Average Mass 429.510 Monoisotopic Mass 429.16982 InChI InChI=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 InChIKey OFDOPXWAGZHKSJ-PNQHFFRLSA-M SMILES [Na+].[H][C@]1(N[C@@H](C([O-])=O)C(C)(C)S1)[C@H](NC(=O)CC1=CC=CC=C1)C(=O)NCCCC ChEBI Ontology Outgoing 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 Sources (5R,6R)-Bu-BPO-Na ChEBI monosodium benzylpenicilloyl-butylamine ChEBI monosodium benzylpenicilloyl-butylamine conjugate ChEBI sodium (2R,4S)-2-{(1R)-2-(butylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylate IUPAC sodium benzylpenicilloyl-butylamine conjugate ChEBI Citation Type Source 33716734 PubMed citation Europe PMC Last Modified 08 July 2021