2-[(4'-Methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-4-hydroxy-5-[(5-(methylthio)-1,3,4-thiadiazol-2-yl)thio]-pentanoic Acid
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Basic information
- Standard SMILES
COc1ccc(-c2ccc(S(=O)(=O)NC(CC(O)CSc3nnc(SC)s3)C(=O)O)cc2)cc1- InChIKey
TXNKDZGTXUTUMD-UHFFFAOYSA-N- Molecular formula
- C21H23N3O6S4
- Average molar mass
- 541.7 g/mol
Names & identifiers
- Preferred name
- 2-[(4'-Methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-4-hydroxy-5-[(5-(methylthio)-1,3,4-thiadiazol-2-yl)thio]-pentanoic Acid
- IUPAC
- 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanoic acid
Names & synonyms
SCHEMBL6773143TXNKDZGTXUTUMD-UHFFFAOYSA-N2-[(4'-Methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-4-hydroxy-5-[(5-(methylthio)-1,3,4-thiadiazol-2-yl)thio]-pentanoic Acid
Database identifiers
- PubChem CID
- 23508310
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 739
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Related reactions
2 records
Compound notes
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