(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C18H19N3O5S |
|---|---|
| Molecular Weight | 389.4 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 158.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.10455 |
| Heavy Atoms | 27 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 92665-29-7 |
|---|---|
| SMILES | CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O |
| InChIKey | WDLWHQDACQUCJR-PBFPGSCMSA-N |
📖 Product Overview
(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 92665-29-7) is a chemical compound with molecular formula C18H19N3O5S and molecular weight 389.4 g/mol. Its IUPAC systematic name is (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
WDLWHQDACQUCJR-PBFPGSCMSA-N.
SMILES: CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O.
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