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Basic information
- Standard SMILES
COc1ccc(CS[C@@H]2C[C@@H](C(=O)NN(CC(C)C)S(=O)(=O)c3ccc(C)cc3)N(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1- InChIKey
PJDXQHPODHLFOX-NDKRRWIDSA-N- Molecular formula
- C34H39N3O6S3
- Average molar mass
- 681.9 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-4-(4-Methoxy-benzylsulfanyl)-1-(naphthalene-2-sulfonyl)-pyrrolidine-2-carboxylic acid N'-isobutyl-N'-(4-methyl-benzenesulfonyl)-hydrazide
- IUPAC
- (2S,4R)-4-[(4-methoxyphenyl)methylsulfanyl]-N'-(4-methylphenyl)sulfonyl-N'-(2-methylpropyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbohydrazide
Names & synonyms
SCHEMBL5723016PJDXQHPODHLFOX-NDKRRWIDSA-N(2S,4R)-4-(4-Methoxy-benzylsulfanyl)-1-(naphthalene-2-sulfonyl)-pyrrolidine-2-carboxylic acid N'-isobutyl-N'-(4-methyl-benzenesulfonyl)-hydrazide
Database identifiers
- PubChem CID
- 69543775
Properties
Computed structural propertiesFilling in
- XLogP
- 6.7
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
1 records
Compound notes
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