Basic information
- CAS
62595-79-3- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1- InChIKey
MHMRNCCXQWLFRC-NSHDSACASA-N- Molecular formula
- C13H16N2O7S
- Average molar mass
- 344.34 g/mol
- Monoisotopic mass
- 344.06782203
Names & identifiers
- Preferred name
- N-(4-Acetamidobenzene-1-sulfonyl)-L-glutamic acid
- IUPAC
- (2S)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid
Names & synonyms
62595-79-3N-(4-Acetamidobenzene-1-sulfonyl)-L-glutamic acidDTXSID70561673(S)-2-(4-Acetamidophenylsulfonamido)pentanedioic acid
Database identifiers
- CAS
62595-79-3- PubChem CID
- 14560411
- DTXSID
DTXSID70561673
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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