Basic information
- Standard SMILES
CC(C)(OC(=O)OCc1ccc([N+](=O)[O-])cc1)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SCCNC(=O)OCc3ccc([N+](=O)[O-])cc3)CC12- InChIKey
IBKQLCHDZCDUPA-UHFFFAOYSA-N- Molecular formula
- C35H33N5O14S
- Average molar mass
- 779.7 g/mol
- Monoisotopic mass
- 779.17447192
Names & identifiers
- IUPAC
- (4-nitrophenyl)methyl 3-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfanyl]-6-[2-[(4-nitrophenyl)methoxycarbonyloxy]propan-2-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Database identifiers
- PubChem CID
- 20267609
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 283 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 17
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,480
Related reactions
1 records
Compound notes
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