Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCSC[C@H]2C(=O)NC(CC(C)C)C(=O)OCc2ccccc2)cc1- InChIKey
YAUGRFKEVZSWEZ-WCSIJFPASA-N- Molecular formula
- C25H32N2O5S2
- Average molar mass
- 504.7 g/mol
Names & identifiers
- Preferred name
- 2-{[(3R)-4-(4-toluenesulfonyl)thiomorpholine-3-carbonyl]amino}-4-methyl-pentanoic acid benzyl ester
- IUPAC
- benzyl 4-methyl-2-[[(3R)-4-(4-methylphenyl)sulfonylthiomorpholine-3-carbonyl]amino]pentanoate
Names & synonyms
SCHEMBL5348795YAUGRFKEVZSWEZ-WCSIJFPASA-N2-{[(3R)-4-(4-toluenesulfonyl)thiomorpholine-3-carbonyl]amino}-4-methyl-pentanoic acid benzyl ester
Database identifiers
- PubChem CID
- 69413498
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 769
Related reactions
1 records
Compound notes
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