Chemical Component Summary

Name(2R,4S)-2-{(R)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SynonymsMETHICILLIN, hydroxylated form
Identifiers(2R,4S)-2-[(1R)-1-[(2,6-dimethoxyphenyl)carbonylamino]-2-oxidanyl-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
FormulaC17 H22 N2 O7 S
Molecular Weight398.431
TypeNON-POLYMER
Isomeric SMILESCC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C
InChIInChI=1S/C17H22N2O7S/c1-17(2)12(16(23)24)19-14(27-17)11(15(21)22)18-13(20)10-8(25-3)6-5-7-9(10)26-4/h5-7,11-12,14,19H,1-4H3,(H,18,20)(H,21,22)(H,23,24)/t11-,12-,14+/m0/s1
InChIKeyJTBCYLJHKDNILB-SGMGOOAPSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count3
Bond Count50
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 54592403