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Basic information
- Standard SMILES
O=C1CN(c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)C(=O)NCCCCc3ccccc3)cc2O)S(=O)(=O)N1- InChIKey
CTVKFZAEMPQAAD-QHCPKHFHSA-N- Molecular formula
- C27H30N4O7S2
- Average molar mass
- 586.7 g/mol
Names & identifiers
- Preferred name
- (S)-2-Benzenesulfonylamino-3-[3-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-phenyl]-N-(4-phenylbutyl)-propionamide
- IUPAC
- (2S)-2-(benzenesulfonamido)-3-[3-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-N-(4-phenylbutyl)propanamide
Names & synonyms
SCHEMBL3221860CTVKFZAEMPQAAD-QHCPKHFHSA-N(S)-2-Benzenesulfonylamino-3-[3-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-phenyl]-N-(4-phenylbutyl)-propionamide
Database identifiers
- PubChem CID
- 57777360
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
1 records
Compound notes
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