1-[(2-Methoxy-2-methylpropanoyl)oxy]ethyl (6R,7R)-3-[(carbamoyloxy)methyl]-7-[2-(furan-2-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Basic information
- CAS
100680-33-9- Standard SMILES
CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(C)OC(=O)C(C)(C)OC)=C(COC(N)=O)CS[C@H]12)c1ccco1- InChIKey
MGYPWVCKENORQX-OXTRWGBDSA-N- Molecular formula
- C23H28N4O11S
- Average molar mass
- 568.6 g/mol
- Monoisotopic mass
- 568.1475289
Names & identifiers
- Preferred name
- 1-[(2-Methoxy-2-methylpropanoyl)oxy]ethyl (6R,7R)-3-[(carbamoyloxy)methyl]-7-[2-(furan-2-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- IUPAC
- 1-(2-methoxy-2-methylpropanoyl)oxyethyl (6R,7R)-3-(carbamoyloxymethyl)-7-[[2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
1-[(2-Methoxy-2-methylpropanoyl)oxy]ethyl (6R,7R)-3-[(carbamoyloxy)methyl]-7-[2-(furan-2-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Database identifiers
- CAS
100680-33-9- PubChem CID
- 5284531
- DTXSID
DTXSID5022776
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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