Basic information
- CAS
85877-90-3- Standard SMILES
CNC(=O)C(=O)NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1- InChIKey
JWFCTAQFMSHAPI-UHFFFAOYSA-N- Molecular formula
- C13H15N3O7S
- Average molar mass
- 357.34 g/mol
- Monoisotopic mass
- 357.063071
Names & identifiers
- Preferred name
- Butanoic acid, 4-((4-((((methylamino)oxacetyl)amino)sulfonyl)phenyl)amino)-4-oxo-
- IUPAC
- 4-[4-[[2-(methylamino)-2-oxoacetyl]sulfamoyl]anilino]-4-oxobutanoic acid
Names & synonyms
85877-90-3Butanoic acid, 4-((4-((((methylamino)oxacetyl)amino)sulfonyl)phenyl)amino)-4-oxo-DTXSID702351854-((4-((((Methylamino)oxacetyl)amino)sulfonyl)phenyl)amino)-4-oxobutanoic acidRefChem:330837DTXCID701576764-(4-{[(Methylamino)(oxo)acetyl]sulfamoyl}anilino)-4-oxobutanoic acid
Database identifiers
- CAS
85877-90-3- PubChem CID
- 55429
- DTXSID
DTXSID70235185
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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