Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C(=O)O)cc1- InChIKey
RIDRDCFEOHAKTP-STQMWFEESA-N- Molecular formula
- C16H21N3O6S
- Average molar mass
- 383.4 g/mol
Names & identifiers
- Preferred name
- N-(Toluene-4-sulfonyl)-L-prolyl-L-asparagine
- IUPAC
- (2S)-4-amino-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
Names & synonyms
SCHEMBL5488119RIDRDCFEOHAKTP-STQMWFEESA-NN-(Toluene-4-sulfonyl)-L-prolyl-L-asparagine
Database identifiers
- PubChem CID
- 9951963
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 651
Related reactions
2 records
Compound notes
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