Fibracillin
(2S,5R,6R)-6-[[(2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C26H28ClN3O6S |
|---|---|
| Molecular Weight | 546.0 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 150.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.13873 |
| Heavy Atoms | 37 |
| Complexity | 916.0 |
Chemical Identifiers
| CAS Number | 51154-48-4 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)C(C)(C)OC4=CC=C(C=C4)Cl)C(=O)O)C |
| InChIKey | BSIJLJGDLNRGBY-NXWNEQKCSA-N |
📖 Product Overview
Fibracillin (CAS: 51154-48-4) is a chemical compound with molecular formula C26H28ClN3O6S and molecular weight 546.0 g/mol. Its IUPAC systematic name is (2S,5R,6R)-6-[[(2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
BSIJLJGDLNRGBY-NXWNEQKCSA-N.
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)C(C)(C)OC4=CC=C(C=C4)Cl)C(=O)O)C.
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