BOU

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



Chemical Component Summary

Name(2R,4S)-2-[(1R)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SynonymsCBAP, open form; benzoyl-6-amino penicilloic acid, open form
Identifiers(2R,4S)-2-[(1R)-1-[[2-(2-carboxyphenyl)phenyl]carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
FormulaC22 H22 N2 O6 S
Molecular Weight442.485
TypeNON-POLYMER
Isomeric SMILESCC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)c2ccccc2c3ccccc3C(=O)O)C(=O)O)C
InChIInChI=1S/C22H22N2O6S/c1-22(2)17(21(29)30)24-19(31-22)16(11-25)23-18(26)14-9-5-3-7-12(14)13-8-4-6-10-15(13)20(27)28/h3-11,16-17,19,24H,1-2H3,(H,23,26)(H,27,28)(H,29,30)/t16-,17+,19-/m1/s1
InChIKeyRFZQTRAFQUXQJP-ZIFCJYIRSA-N

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count3
Bond Count55
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 53318992