(6R,7R)-7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C18H18N6O5S2 |
|---|---|
| Molecular Weight | 462.5 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 201.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.078 |
| Heavy Atoms | 31 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 65338-32-1 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)O)SC2)C(=O)O |
| InChIKey | OLVCFLKTBJRLHI-UJBKNGIVSA-N |
📖 Product Overview
(6R,7R)-7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 65338-32-1) is a chemical compound with molecular formula C18H18N6O5S2 and molecular weight 462.5 g/mol. Its IUPAC systematic name is (6R,7R)-7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
OLVCFLKTBJRLHI-UJBKNGIVSA-N.
SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)O)SC2)C(=O)O.
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