3-[{[4-({Cyclohexyl[2-ethyl-5-(1-hydroxy-2-methylpropyl)thiophen-3-yl]methyl}amino)phenyl]carbonyl}(methyl)amino]propanoic acid
Basic information
- Standard SMILES
CCc1sc(C(O)C(C)C)cc1C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1- InChIKey
GSHRBIPOIQFCEA-UHFFFAOYSA-N- Molecular formula
- C28H40N2O4S
- Average molar mass
- 500.7 g/mol
Names & identifiers
- Preferred name
- 3-[{[4-({Cyclohexyl[2-ethyl-5-(1-hydroxy-2-methylpropyl)thiophen-3-yl]methyl}amino)phenyl]carbonyl}(methyl)amino]propanoic acid
- IUPAC
- 3-[[4-[[cyclohexyl-[2-ethyl-5-(1-hydroxy-2-methylpropyl)thiophen-3-yl]methyl]amino]benzoyl]-methylamino]propanoic acid
Names & synonyms
SCHEMBL3106888GSHRBIPOIQFCEA-UHFFFAOYSA-N3-[{[4-({cyclohexyl[2-ethyl-5-(1-hydroxy-2-methylpropyl)thiophen-3-yl]methyl}amino)phenyl]carbonyl}(methyl)amino]propanoic acid
Database identifiers
- PubChem CID
- 59529348
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 676
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Related reactions
1 records
Compound notes
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