Basic information
- Standard SMILES
CC(=O)NCCC(=O)Nc1cc(C(O)CN(Cc2ccccc2)C(C)Cc2ccc(O)cc2)ccc1OCc1ccccc1- InChIKey
LSSINOWHIIVKFJ-UHFFFAOYSA-N- Molecular formula
- C36H41N3O5
- Average molar mass
- 595.7 g/mol
Names & identifiers
- Preferred name
- 3-(N-acetyl-beta-alanyl)amino-4-benzyloxy-alpha-[N-benzyl-N-(1-methyl-2-p-hydroxyphenylethyl)aminomethyl]benzyl alcohol
- IUPAC
- 3-acetamido-N-[5-[2-[benzyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]-1-hydroxyethyl]-2-phenylmethoxyphenyl]propanamide
Names & synonyms
SCHEMBL11817022LSSINOWHIIVKFJ-UHFFFAOYSA-N3-(N-acetyl-beta-alanyl)amino-4-benzyloxy-alpha-[N-benzyl-N-(1-methyl-2-p-hydroxyphenylethyl)aminomethyl]benzyl alcohol
Database identifiers
- PubChem CID
- 54050786
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 838
Related reactions
2 records
Compound notes
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