The Biofilms Structural Database

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METHICILIN

3KP4

Code

MII

Name

methicillin

Molecular Weight

380.42

Isomeric SMILES

COc1cccc(OC)c1C(=O)N[[email protected]]1[[email protected]]2SC(C)(C)[[email protected]@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