The Biofilms Structural Database
Name
methicillin
Molecular Weight
380.42
Isomeric SMILES
COc1cccc(OC)c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O
Formula
C17H20N2O6S
Identifiers
(2S,5R,6R)-6-[(2,6-dimethoxyphenyl)carbonylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Formal Charge
InChI
InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1
Atom Count
InChIKey
RJQXTJLFIWVMTO-TYNCELHUSA-N
PDB codes
3KP4
Type
NON-POLYMER
Chiral Atom Count
Chiral Atoms
Bond Count
Aromatic Bond Count
Leaving Atoms