Benzyl 4-[[(4-ethoxy-4-oxobut-2-enoyl)amino]sulfamoyl]-2-(phenylmethoxycarbonylamino)butanoate
Basic information
- Standard SMILES
CCOC(=O)C=CC(=O)NNS(=O)(=O)CCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1- InChIKey
OTCWDINMJTZLGX-UHFFFAOYSA-N- Molecular formula
- C25H29N3O9S
- Average molar mass
- 547.6 g/mol
- Monoisotopic mass
- 547.16245068
Names & identifiers
- Preferred name
- Benzyl 4-[[(4-ethoxy-4-oxobut-2-enoyl)amino]sulfamoyl]-2-(phenylmethoxycarbonylamino)butanoate
- IUPAC
- benzyl 4-[[(4-ethoxy-4-oxobut-2-enoyl)amino]sulfamoyl]-2-(phenylmethoxycarbonylamino)butanoate
Database identifiers
- PubChem CID
- 321603
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 906
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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