7EP

(2R,4S)-2-[(1R)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Created:2010-06-28
Last modified:  2024-09-27

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count3
Bond Count49
Aromatic Bond Count6
2D diagram of 7EP

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name(2R,4S)-2-[(1R)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Synonymsmethicillin, bound form
Systematic Name (OpenEye OEToolkits)(2R,4S)-2-[(1R)-1-[(2,6-dimethoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
FormulaC17 H22 N2 O6 S
Molecular Weight382.431
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c2c(OC)cccc2OC
SMILESCACTVS3.370COc1cccc(OC)c1C(=O)N[CH](C=O)[CH]2N[CH](C(O)=O)C(C)(C)S2
SMILESOpenEye OEToolkits1.7.6CC1(C(NC(S1)C(C=O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C
Canonical SMILESCACTVS3.370 COc1cccc(OC)c1C(=O)N[C@H](C=O)[C@@H]2N[C@@H](C(O)=O)C(C)(C)S2
Canonical SMILESOpenEye OEToolkits1.7.6 CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C
InChIInChI1.03 InChI=1S/C17H22N2O6S/c1-17(2)13(16(22)23)19-15(26-17)9(8-20)18-14(21)12-10(24-3)6-5-7-11(12)25-4/h5-9,13,15,19H,1-4H3,(H,18,21)(H,22,23)/t9-,13+,15-/m1/s1
InChIKeyInChI1.03 SKOKQNRJVBPEBM-ZDBHGNHJSA-N

Related Resource References

Resource NameReference
PubChem 137348603