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CHEBI:52016 - carindacillin(1−)

ChEBI IDCHEBI:52016
ChEBI Namecarindacillin(1−)
Stars
ASCII Namecarindacillin(1-)
Last Modified16 April 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC26H25N2O6S
Net Charge-1
Average Mass493.561
Monoisotopic Mass493.14388
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)C(C(=O)Oc1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C26H26N2O6S/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32)/p-1/t18?,19-,20+,23-/m1/s1
InChIKeyJIRBAUWICKGBFE-MNRDOXJOSA-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)
carindacillin(1−) (CHEBI:52016) is a penicillinate anion (CHEBI:51356)
carindacillin(1−) (CHEBI:52016) is conjugate base of carindacillin (CHEBI:52015)
Incoming Relation(s)
carindacillin sodium (CHEBI:31358) has part carindacillin(1−) (CHEBI:52016)
carindacillin (CHEBI:52015) is conjugate acid of carindacillin(1−) (CHEBI:52016)
IUPAC Name 
6β-[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanamido]-2,2-dimethylpenam-3α-carboxylate
Synonyms  Source
(2S,5R,6R)-6-{[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC
6β-{2-[(2,3-dihydro-1H-inden-5-yloxy)carbonyl]-2-phenylacetamido}-2,2-dimethylpenam-3α-carboxylateIUPAC
Registry NumbersSources
Beilstein:5406318Beilstein