Basic information
- Standard SMILES
COC(=O)[C@H](O)CNC(=O)c1ccc(CN(c2nc3ccccc3n2C)C2CCC(C(C)(C)C)CC2)cc1- InChIKey
CYQSHVQJAPWCCL-QGPIEZSZSA-N- Molecular formula
- C30H40N4O4
- Average molar mass
- 520.7 g/mol
- Monoisotopic mass
- 520.30495577
Names & identifiers
- Preferred name
- Methyl (2r)-3-[(4-{[(4-tert-butylcyclohexyl)(1-methyl-1h-benzimidazol-2-yl)amino]-methyl}benzoyl)amino]-2-hydroxypropanoate
- IUPAC
- methyl (2R)-3-[[4-[[(4-tert-butylcyclohexyl)-(1-methylbenzimidazol-2-yl)amino]methyl]benzoyl]amino]-2-hydroxypropanoate
Names & synonyms
SCHEMBL2666379CYQSHVQJAPWCCL-QGPIEZSZSA-Nmethyl (2r)-3-[(4-{[(4-tert-butylcyclohexyl)(1-methyl-1h-benzimidazol-2-yl)amino]-methyl}benzoyl)amino]-2-hydroxypropanoate
Database identifiers
- PubChem CID
- 57758784
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 786
Related reactions
2 records
Compound notes
Loading…