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CHEBI:51906 - carfecillin(1−)

ChEBI IDCHEBI:51906
ChEBI Namecarfecillin(1−)
Stars
ASCII Namecarfecillin(1-)
Last Modified12 February 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC23H21N2O6S
Net Charge-1
Average Mass453.496
Monoisotopic Mass453.11258
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)C(C(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)/p-1/t15?,16-,17+,20-/m1/s1
InChIKeyNZDASSHFKWDBBU-KVMCETHSSA-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)
carfecillin(1−) (CHEBI:51906) is a penicillinate anion (CHEBI:51356)
carfecillin(1−) (CHEBI:51906) is conjugate base of carfecillin (CHEBI:3414)
Incoming Relation(s)
carfecillin sodium (CHEBI:34612) has part carfecillin(1−) (CHEBI:51906)
carfecillin (CHEBI:3414) is conjugate acid of carfecillin(1−) (CHEBI:51906)
IUPAC Name 
2,2-dimethyl-6β-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]penam-3α-carboxylate
Synonym  Source
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC
Registry NumbersSources
Beilstein:5406126Beilstein