Basic information
- Standard SMILES
CC(C)(C)C1CCC(NCc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)CC1- InChIKey
HHEJQKVNMYDOMP-DAWZGUTISA-N- Molecular formula
- C21H32N2O4
- Average molar mass
- 376.5 g/mol
Names & identifiers
- Preferred name
- (R)-3-{4-[(4-tert-butylcyclohexylamino)methyl]benzoylamino}-2-hydroxypropionic acid
- IUPAC
- (2R)-3-[[4-[[(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]-2-hydroxypropanoic acid
Names & synonyms
SCHEMBL2654675HHEJQKVNMYDOMP-DAWZGUTISA-N(R)-3-{4-[(4-tert-butylcyclohexylamino)methyl]benzoylamino}-2-hydroxypropionic acid(R)-3{-4-[(4-tert-butylcyclohexylamino)methyl]benzoylamino}-2-hydroxypropionic acid
Database identifiers
- PubChem CID
- 67485259
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 487
Related reactions
4 records
Compound notes
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