The Biofilms Structural Database
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The Biofilms Structural Database |
METHICILIN |
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3KP4 |
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Code
MII | |
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Name |
methicillin |
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Molecular Weight |
380.42 |
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Isomeric SMILES |
COc1cccc(OC)c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O |
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Formula |
C17H20N2O6S |
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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 |
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Formal Charge |
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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 |
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Atom Count |
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InChIKey |
RJQXTJLFIWVMTO-TYNCELHUSA-N |
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PDB codes |
3KP4 |
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Type |
NON-POLYMER |
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Chiral Atom Count |
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Chiral Atoms |
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Bond Count |
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Aromatic Bond Count |
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Leaving Atoms |
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