AC1L8ZNV
benzhydryl (6R,7R)-3-formyl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: NCI60_031514|5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-formyl-8-oxo-7-[(2-thienylacetyl)amino]-, diphenylmethyl ester, (6R-trans)-|benzhydryl (6R,7R)-3-formyl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
| Molecular Formula | C27H22N2O5S2 |
|---|---|
| Molecular Weight | 518.097 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 518.097 |
| Monoisotopic Mass | 518.097 |
| Heavy Atoms | 36 |
| Complexity | 879.0 |
Chemical Identifiers
| CAS Number | 33741-82-1 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C=O |
| InChIKey | LIRKLXABCCGOPK-ATIYNZHBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1L8ZNV (CAS 33741-82-1), with molecular formula C27H22N2O5S2 and molecular weight 518.097 g/mol. IUPAC: benzhydryl (6R,7R)-3-formyl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
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