Basic information
- Standard SMILES
COC(=O)C(CSCc1ccccc1)NC(=O)C(Cc1ccccc1)CC(Cc1ccccc1)C(=O)O- InChIKey
OAMXLRLMGGDLQU-UHFFFAOYSA-N- Molecular formula
- C30H33NO5S
- Average molar mass
- 519.7 g/mol
- Monoisotopic mass
- 519.20794433
Names & identifiers
- IUPAC
- 2,4-dibenzyl-5-[(3-benzylsulfanyl-1-methoxy-1-oxopropan-2-yl)amino]-5-oxopentanoic acid
Database identifiers
- PubChem CID
- 19809035
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 698
Related reactions
2 records
Compound notes
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