CHEBI:55472 - benzylpenicilloyl-butylamine

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ChEBI Name benzylpenicilloyl-butylamine ChEBI ID CHEBI:55472 Definition An amide formed between benzylpenicillin and 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 C20H29N3O4S Net Charge 0 Average Mass 407.52700 Monoisotopic Mass 407.18788 InChI InChI=1S/C20H29N3O4S/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)/t15-,16+,18-/m1/s1 InChIKey QRLSGQYOHPQEPE-SOLBZPMBSA-N SMILES [H][C@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCCCC Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing benzylpenicilloyl-butylamine (CHEBI:55472) has functional parent benzylpenicillin (CHEBI:18208) benzylpenicilloyl-butylamine (CHEBI:55472) is a monocarboxylic acid amide (CHEBI:29347) benzylpenicilloyl-butylamine (CHEBI:55472) is a thiazolidinemonocarboxylic acid (CHEBI:48875) benzylpenicilloyl-butylamine (CHEBI:55472) is conjugate acid of benzylpenicilloyl-butylamine(1−) (CHEBI:176775) Incoming benzylpenicilloyl-butylamine(1−) (CHEBI:176775) is conjugate base of benzylpenicilloyl-butylamine (CHEBI:55472) IUPAC Name (2R,4S)-2-{(1R)-2-(butylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid Synonyms Sources (5R,6R)-Bu-BPO ChEBI benzylpenicilloyl butylamine ChEBI BPO-BA ChEBI BPO-butylamine ChEBI Citations Types Sources 337 PubMed citation Europe PMC 7716788 PubMed citation Europe PMC Last Modified 08 July 2021