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(2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo xylic acid



Chemical Component Summary

Name(2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo xylic acid
SynonymsCarbenicillin
Identifiers(2S,5R,6R,7R)-3,3-dimethyl-7-oxidanyl-6-[[(2R)-3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
FormulaC17 H20 N2 O6 S
Molecular Weight380.416
TypeNON-POLYMER
Isomeric SMILESCC1([C@@H](N2[C@@H]([C@H]([C@H]2S1)NC(=O)[C@@H](c3ccccc3)C(=O)O)O)C(=O)O)C
InChIInChI=1S/C17H20N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,13-14,21H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9-,10-,11+,13-,14-/m1/s1
InChIKeyASNJKAXIMWOZDG-KHQUWSPVSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count5
Bond Count48
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 70679358