Basic information
- CAS
60771-27-9- Standard SMILES
C=C1CS(=O)C2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)OCc1ccc([N+](=O)[O-])cc1- InChIKey
HBKWKOGDTHDLLR-UHFFFAOYSA-N- Molecular formula
- C23H21N3O8S
- Average molar mass
- 499.5 g/mol
- Monoisotopic mass
- 499.10493581
Names & identifiers
- Preferred name
- Einecs 262-423-9
- IUPAC
- (4-nitrophenyl)methyl 3-methylidene-5,8-dioxo-7-[(2-phenoxyacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
- English name
- 4-Nitrobenzyl [2R-(2alpha,5beta,6alpha,7beta)]-3-methylene-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate 5-oxide
- Molecular formula
- C23H21N3O8S
- Molecular weight
- 499.49
Names & synonyms
60771-27-9(4-Nitrophenyl)methyl 3-methylidene-5,8-dioxo-7-[(2-phenoxyacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate4-Nitrobenzyl[2r-(2alpha,5beta,6alpha,7beta)]-3-methylene-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate5-oxideEINECS 262-423-9(4-Nitrophenyl)methyl (2R,6R,7R)-3-methylidene-5,8-dioxo-7-[(2-phenoxyacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate4-nitrobenzyl 3-methylidene-8-oxo-7-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate 5-oxideOprea1_078903DTXSID90976245STK384444AKOS000715170AKOS0220616384-Nitrobenzyl (2R-(2alpha,5beta,6alpha,7beta))-3-methylene-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo(4.2.0)octane-2-carboxylate5-oxide
Show more names
4-nitrobenzyl [2R-(2α,5β,6α,7β)]-3-methylene-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate 5-oxide(2R,6β)-3-Methylene-2β-[[(4-nitrophenyl)methoxy]carbonyl]-8-oxo-7α-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane5-oxide
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 892
Chemistry & industry
Suppliers2 total
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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