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(2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid


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Chemical Component Summary

Name(2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid
SynonymsOxacillin, hydroxylated form
Identifiers(2R,4S)-5,5-dimethyl-2-[(1R)-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid
FormulaC19 H21 N3 O6 S
Molecular Weight419.452
TypeNON-POLYMER
Isomeric SMILESCc1c(c(no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O
InChIInChI=1S/C19H21N3O6S/c1-9-11(12(22-28-9)10-7-5-4-6-8-10)15(23)20-13(17(24)25)16-21-14(18(26)27)19(2,3)29-16/h4-8,13-14,16,21H,1-3H3,(H,20,23)(H,24,25)(H,26,27)/t13-,14-,16+/m0/s1
InChIKeyJCHZLBSPYSDECZ-OFQRWUPVSA-N

Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count3
Bond Count52
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 26579868