Basic information
- Standard SMILES
CCNC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
XANXQUZCHQEXGA-PPHPATTJSA-N- Molecular formula
- C18H24N2O7S2
- Average molar mass
- 444.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 2(S)-phenylsulfonylamino-beta-alanine p-toluenesulfonate
- IUPAC
- (2S)-2-(benzenesulfonamido)-3-(ethylamino)propanoic acid;4-methylbenzenesulfonic acid
Names & synonyms
XANXQUZCHQEXGA-PPHPATTJSA-NEthyl 2(S)-phenylsulfonylamino-beta-alanine p-toluenesulfonate
Database identifiers
- PubChem CID
- 86752459
Properties
Computed structural properties
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 564
Related reactions
3 records
Linked notes
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