Basic information
- Standard SMILES
CC(C)[C@@H](C(=O)O)N1Cc2ccc(-c3ccc(NC(=O)Nc4ccccc4Oc4ccccc4)cc3)cc2C1=O- InChIKey
LVWLEHGJRFAXED-LJAQVGFWSA-N- Molecular formula
- C32H29N3O5
- Average molar mass
- 535.6 g/mol
Names & identifiers
- Preferred name
- (S)-3-Methyl-2-(1-oxo-6-(4-(3-(2-phenoxyphenyl)ureido)phenyl)isoindolin-2-yl)butanoic acid
- IUPAC
- (2S)-3-methyl-2-[3-oxo-5-[4-[(2-phenoxyphenyl)carbamoylamino]phenyl]-1H-isoindol-2-yl]butanoic acid
Names & synonyms
SCHEMBL2180680LVWLEHGJRFAXED-LJAQVGFWSA-N(S)-3-Methyl-2-(1-oxo-6-(4-(3-(2-phenoxyphenyl)ureido)phenyl)isoindolin-2-yl)butanoic acid
Database identifiers
- PubChem CID
- 67307368
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 882
Related reactions
1 records
Compound notes
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