Basic information
- Standard SMILES
O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(OCCc2c[nH]cn2)cc1- InChIKey
VIWFRGPRYWEYHU-IBGZPJMESA-N- Molecular formula
- C21H22N4O6S
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.12600561
Names & identifiers
- Preferred name
- 4-[2-(Imidazol-4-yl)ethyloxy]benzoyl-2(S)-phenylsulfonylamino-beta-alanine
- IUPAC
- (2S)-2-(benzenesulfonamido)-3-[[4-[2-(1H-imidazol-5-yl)ethoxy]benzoyl]amino]propanoic acid
Names & synonyms
VIWFRGPRYWEYHU-IBGZPJMESA-N4-[2-(Imidazol-4-yl)ethyloxy]benzoyl-2(S)-phenylsulfonylamino-beta-alanine
Database identifiers
- PubChem CID
- 15850723
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 714
Related reactions
1 records
Compound notes
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