Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
YBXMQBLKFOSYQK-UIOOFZCWSA-N- Molecular formula
- C28H31N3O6S2
- Average molar mass
- 569.7 g/mol
Names & identifiers
- Preferred name
- N-(Toluene-4-sulfonyl)-L-prolyl-L-phenylalanine N-(Toluene4-sulfonyl)amide
- IUPAC
- (2S)-1-(4-methylphenyl)sulfonyl-N-[(2S)-1-[(4-methylphenyl)sulfonylamino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
Names & synonyms
SCHEMBL7069653YBXMQBLKFOSYQK-UIOOFZCWSA-NN-(Toluene-4-sulfonyl)-L-prolyl-L-phenylalanine N-(Toluene4-sulfonyl)amideN-(Toluene-4-sulfonyl)-L-prolyl-L-phenylalanine N-(Toluene-4-sulfonyl)amide
Database identifiers
- PubChem CID
- 54500258
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
2 records
Compound notes
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