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CHEBI:176775 - benzylpenicilloyl-butylamine(1−)

ChEBI IDCHEBI:176775
ChEBI Namebenzylpenicilloyl-butylamine(1−)
Stars
ASCII Namebenzylpenicilloyl-butylamine(1-)
DefinitionA penicillinate anion formed by loss of a proton from the carboxy function of benzylpenicilloyl-butylamine.
Last Modified8 July 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H28N3O4S
Net Charge-1
Average Mass406.528
Monoisotopic Mass406.18060
SMILES[H][C@@]1([C@H](NC(=O)Cc2ccccc2)C(=O)NCCCC)N[C@@H](C(=O)[O-])C(C)(C)S1
InChIInChI=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)/p-1/t15-,16+,18-/m1/s1
InChIKeyQRLSGQYOHPQEPE-SOLBZPMBSA-M
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
benzylpenicilloyl-butylamine(1−) (CHEBI:176775) is a penicillinate anion (CHEBI:51356)
benzylpenicilloyl-butylamine(1−) (CHEBI:176775) is conjugate base of benzylpenicilloyl-butylamine (CHEBI:55472)
Incoming Relation(s)
benzylpenicilloyl-butylamine sodium (CHEBI:176785) has part benzylpenicilloyl-butylamine(1−) (CHEBI:176775)
benzylpenicilloyl-butylamine (CHEBI:55472) is conjugate acid of benzylpenicilloyl-butylamine(1−) (CHEBI:176775)
IUPAC Name 
(2R,4S)-2-[(1R)-2-(butylamino)-2-oxo-1-(2-phenylacetamido)ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
Synonyms  Source
(2R,4S)-2-{(1R)-2-(butylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylateIUPAC
BPO-BA(1−)ChEBI
benzylpenicilloyl butylamine(1−)ChEBI
BPO-butylamine(1−)ChEBI