Basic information
- Standard SMILES
COc1ccc(-c2ccc(S(=O)(=O)NC(CC(O)CSc3nc4ccc(OC)cc4[nH]3)C(=O)O)cc2)cc1- InChIKey
UPAIERPULUXWMA-UHFFFAOYSA-N- Molecular formula
- C26H27N3O7S2
- Average molar mass
- 557.6 g/mol
- Monoisotopic mass
- 557.12904256
Names & identifiers
- Preferred name
- 2-[(4'-Methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-4-hydroxy-5-[(5-methoxy-benzimidazol-2-yl)thio]-pentanoic Acid
- IUPAC
- 4-hydroxy-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid
Names & synonyms
SCHEMBL6775181SCHEMBL6775193UPAIERPULUXWMA-UHFFFAOYSA-N2-[(4'-Methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-4-hydroxy-5-[(5-methoxy-benzimidazol-2-yl)thio]-pentanoic Acid
Database identifiers
- PubChem CID
- 23508253
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 857
Related reactions
2 records
Compound notes
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