Basic information
- Standard SMILES
COC(=O)[C@H](CCSC)NC(=O)C1(NC(=O)c2ccc(CN(C)C)cc2)CCCCC1- InChIKey
KWTMEUFJBPNQTM-IBGZPJMESA-N- Molecular formula
- C23H35N3O4S
- Average molar mass
- 449.6 g/mol
Names & identifiers
- Preferred name
- N-[[1-[[[4-[(Dimethylamino)methyl]phenyl]carbonyl]amino]cyclohexyl]carbonyl]-L-methionine methyl ester
- IUPAC
- methyl (2S)-2-[[1-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclohexanecarbonyl]amino]-4-methylsulfanylbutanoate
Names & synonyms
SCHEMBL1839066KWTMEUFJBPNQTM-IBGZPJMESA-NN-[[1-[[[4-[(Dimethylamino)methyl]phenyl]carbonyl]amino]cyclohexyl]carbonyl]-L-methionine methyl ester
Database identifiers
- PubChem CID
- 24739313
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 600
Related reactions
3 records
Compound notes
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