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CHEBI:52066 - mezlocillin(1−)

ChEBI IDCHEBI:52066
ChEBI Namemezlocillin(1−)
Stars
ASCII Namemezlocillin(1-)
Last Modified5 March 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H24N5O8S2
Net Charge-1
Average Mass538.584
Monoisotopic Mass538.10718
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(S(C)(=O)=O)C1=O)c1ccccc1
InChIInChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/p-1/t12-,13-,14+,17-/m1/s1
InChIKeyYPBATNHYBCGSSN-VWPFQQQWSA-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)
mezlocillin(1−) (CHEBI:52066) is a penicillinate anion (CHEBI:51356)
mezlocillin(1−) (CHEBI:52066) is conjugate base of mezlocillin (CHEBI:6919)
Incoming Relation(s)
mezlocillin sodium (CHEBI:52067) has part mezlocillin(1−) (CHEBI:52066)
mezlocillin (CHEBI:6919) is conjugate acid of mezlocillin(1−) (CHEBI:52066)
IUPAC Name 
6β-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3α-carboxylate
Synonyms  Source
(2S,5R,6R)-3,3-dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC
6β-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanateChEBI
Registry NumbersSources
Beilstein:6049324Beilstein