Basic information
- CAS
33074-98-5- Standard SMILES
CCN=C(NCC)SCC(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12- InChIKey
QGIQVDXCNNPRCE-UHFFFAOYSA-N- Molecular formula
- C17H24N4O6S2
- Average molar mass
- 444.5 g/mol
- Monoisotopic mass
- 444.11372685
Names & identifiers
- Preferred name
- 3-(acetyloxymethyl)-7-[[2-(N,N'-diethylcarbamimidoyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- IUPAC
- 3-(acetyloxymethyl)-7-[[2-(N,N'-diethylcarbamimidoyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
33074-98-5NSC2702923-(acetyloxymethyl)-7-[[2-(N,N'-diethylcarbamimidoyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidDTXSID00313445NSC-2702923-[(Acetyloxy)methyl]-7-{2-[(N,N'-diethylcarbamimidoyl)sulfanyl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Database identifiers
- CAS
33074-98-5- PubChem CID
- 321000
- DTXSID
DTXSID00313445
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 754
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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