Basic information
- Standard SMILES
CNC(=O)C(Cc1ccc2ccccc2c1)N1CCN(C(=O)C(Cc2ccc(F)cc2)NC(=O)C(Cc2ccc(O)cc2)NC(C)=O)C(CCO)C1- InChIKey
YWUZWBDKFDJHBE-UHFFFAOYSA-N- Molecular formula
- C40H46FN5O6
- Average molar mass
- 711.8 g/mol
Names & identifiers
- Preferred name
- 2-[4-[2-[2-Acetylamino-3-(4-hydroxyphenyl)propionylamino]-3-(4-fluorophenyl)propionyl]-3-(2-hydroxyethyl)piperazin-1-yl]-n-methyl-3-naphthalene-2-yl-propionamide
- IUPAC
- 2-acetamido-N-[3-(4-fluorophenyl)-1-[2-(2-hydroxyethyl)-4-[1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Names & synonyms
SCHEMBL5994410YWUZWBDKFDJHBE-UHFFFAOYSA-N2-[4-[2-[2-acetylamino-3-(4-hydroxyphenyl)propionylamino]-3-(4-fluorophenyl)propionyl]-3-(2-hydroxyethyl)piperazin-1-yl]-n-methyl-3-naphthalene-2-yl-propionamide
Database identifiers
- PubChem CID
- 22015683
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
2 records
Compound notes
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