Basic information
- Standard SMILES
NN(C[C@@H](C(=O)O)S(=O)(=O)c1ccccc1)C(=O)c1ccc(OCCc2cn(Cc3ccccc3)cn2)cc1- InChIKey
VEYWUAUTQFNNFX-SANMLTNESA-N- Molecular formula
- C28H28N4O6S
- Average molar mass
- 548.6 g/mol
Names & identifiers
- Preferred name
- 4-[2-(N-Benzylimidazol-4-yl)ethyloxy]benzoyl-2(S)-phenylsulfonyl-amino-beta-alanine
- IUPAC
- (2S)-3-[amino-[4-[2-(1-benzylimidazol-4-yl)ethoxy]benzoyl]amino]-2-(benzenesulfonyl)propanoic acid
Names & synonyms
SCHEMBL8901596VEYWUAUTQFNNFX-SANMLTNESA-N4-[2-(1-Benzylimidazol-4-yl)ethyloxy]benzoyl-2(S)-phenylsulfonyl-amino-beta-alanine4-[2-(N-Benzylimidazol-4-yl)ethyloxy]benzoyl-2(S)-phenylsulfonyl-amino-beta-alanine
Database identifiers
- PubChem CID
- 67720996
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 892
Related reactions
2 records
Compound notes
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