CB9

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


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Chemical Component Summary

Name(2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SynonymsBound form of Carbenicillin
Identifiers(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxidanylidene-1-[[(2S)-3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl]amino]ethyl]-1,3-thiazolidine-4-carboxylic acid
FormulaC17 H20 N2 O6 S
Molecular Weight380.416
TypeNON-POLYMER
Isomeric SMILESCC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@H](c2ccccc2)C(=O)O)C(=O)O)C
InChIInChI=1S/C17H20N2O6S/c1-17(2)12(16(24)25)19-14(26-17)10(8-20)18-13(21)11(15(22)23)9-6-4-3-5-7-9/h3-8,10-12,14,19H,1-2H3,(H,18,21)(H,22,23)(H,24,25)/t10-,11+,12+,14-/m1/s1
InChIKeyYABPSSAFCROUQF-OWTLIXCDSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count4
Bond Count47
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 49866761