Basic information
- Standard SMILES
COC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)C(C)C- InChIKey
ZVKUBEYOUKLQCV-KRWDZBQOSA-N- Molecular formula
- C18H20N2O6S
- Average molar mass
- 392.4 g/mol
Names & identifiers
- Preferred name
- methyl N-[(4'-nitro-1,1'-biphenyl-4-yl)sulfonyl]-L-valinate
- IUPAC
- methyl (2S)-3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butanoate
Names & synonyms
CHEMBL72636SCHEMBL3103313ZVKUBEYOUKLQCV-KRWDZBQOSA-Nmethyl N-[(4'-nitro-1,1'-biphenyl-4-yl)sulfonyl]-L-valinate
Database identifiers
- PubChem CID
- 10069077
- ChEMBL
CHEMBL72636
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 609
Related reactions
1 records
Compound notes
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