4-[2-(Thiazol-2-ylamino)ethyloxy]benzoyl-2(S)-phenylsulfonylamino-beta-alanine
Basic information
- Standard SMILES
O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(OCCNc2nccs2)cc1- InChIKey
QBOAUXMQZKFUSF-SFHVURJKSA-N- Molecular formula
- C21H22N4O6S2
- Average molar mass
- 490.6 g/mol
Names & identifiers
- Preferred name
- 4-[2-(Thiazol-2-ylamino)ethyloxy]benzoyl-2(S)-phenylsulfonylamino-beta-alanine
- IUPAC
- (2S)-2-(benzenesulfonamido)-3-[[4-[2-(1,3-thiazol-2-ylamino)ethoxy]benzoyl]amino]propanoic acid
Names & synonyms
QBOAUXMQZKFUSF-SFHVURJKSA-N4-[2-(Thiazol-2-ylamino)ethyloxy]benzoyl -2(S)-phenylsulfonylamino-beta-alanine4-[2-(Thiazol-2-ylamino)ethyloxy]benzoyl-2(S)-phenylsulfonylamino-beta-alanine
Database identifiers
- PubChem CID
- 86752452
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 734
Related reactions
2 records
Compound notes
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