Name: temocillin disodium
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HIT ID:HIT218635349
Cas No:61545-06-0
Common Name:temocillin disodium
IUPAC:disodium (2S,5R,6S)-6-[2-carboxylato-2-(thiophen-3-yl)acetamido]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC:disodium (2S,5R,6S)-6-[2-carboxylato-2-(thiophen-3-yl)acetamido]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
InChI key:MRGCZDWBFFUEES-CWBCWDDISA-L

Molecular Formula:C16H16N2Na2O7S2
Molecular Weight:458.41
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:[Na+].[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@]2(NC(=O)C(C([O-])=O)c1ccsc1)OC)C([O-])=O
SMILES:[Na+].[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@]2(NC(=O)C(C([O-])=O)c1ccsc1)OC)C([O-])=O

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