Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C(=O)O)C(C)C)c2ccc(F)cc2)cc1OC- InChIKey
SGRAVRUHEWLMMM-FQEVSTJZSA-N- Molecular formula
- C21H25FN2O7S
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.13665048
Names & identifiers
- Preferred name
- N-({[(3,4-Dimethoxyphenyl)sulfonyl]-4-fluoroanilino}acetyl)valine
- IUPAC
- (2S)-2-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetyl]amino]-3-methylbutanoic acid
Names & synonyms
SCHEMBL3364069SGRAVRUHEWLMMM-FQEVSTJZSA-NN-({[(3,4-Dimethoxyphenyl)sulfonyl]-4-fluoroanilino}acetyl)valine
Database identifiers
- PubChem CID
- 68614109
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 735
Related reactions
1 records
Compound notes
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