Basic information
- Standard SMILES
C/C(=C/C(=O)c1ccc(C)cc1)N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O- InChIKey
QBNKTOIPUNXNNB-WRQMMDRMSA-N- Molecular formula
- C32H32N2O5
- Average molar mass
- 524.6 g/mol
Names & identifiers
- Preferred name
- (2S)-2-{[(Z)-1-methyl-3-(4-methylphenyl)-3-oxo-1-propenyl]amino}-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propanoic acid
- IUPAC
- (2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-(4-methylphenyl)-4-oxobut-2-en-2-yl]amino]propanoic acid
Names & synonyms
SCHEMBL6607148QBNKTOIPUNXNNB-WRQMMDRMSA-N(2S)-2-{[(Z)-1-methyl-3-(4-methylphenyl)-3-oxo-1-propenyl]amino}-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propanoic acid
Database identifiers
- PubChem CID
- 9828201
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 809
Related reactions
1 records
Compound notes
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