Basic information
- Standard SMILES
O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(OCCCc2ccncc2)cc1- InChIKey
GBDYWNZJWKANNZ-QFIPXVFZSA-N- Molecular formula
- C24H25N3O6S
- Average molar mass
- 483.5 g/mol
- Monoisotopic mass
- 483.1464067
Names & identifiers
- Preferred name
- 4-[3-(Pyridin-4-yl)propyloxy]benzoyl-2(S)-phenylsulfonylamino-beta-alanine
- IUPAC
- (2S)-2-(benzenesulfonamido)-3-[[4-(3-pyridin-4-ylpropoxy)benzoyl]amino]propanoic acid
Names & synonyms
GBDYWNZJWKANNZ-QFIPXVFZSA-N4-[3 -(Pyridin-4-yl)propyloxy]benzoyl-2(S)-phenylsulfonylamino-beta-alanine
Database identifiers
- PubChem CID
- 10457992
- Nikkaji
- J784.171J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 736
Related reactions
1 records
Compound notes
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