Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1ccc(CS[C@@H]2C[C@@H](C(=O)NNCC(C)C)N(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1- InChIKey
YZHUXEUPPCHVEZ-RSXGOPAZSA-N- Molecular formula
- C27H33N3O4S2
- Average molar mass
- 527.7 g/mol
- Monoisotopic mass
- 527.19124889
Names & identifiers
- Preferred name
- (2S,4R)-4-(4-Methoxy-benzylsulfanyl)-1-(naphthalene-2-sulfonyl)-pyrrolidine-2-carboxylic acid N'-isobutyl-hydrazide
- IUPAC
- (2S,4R)-4-[(4-methoxyphenyl)methylsulfanyl]-N'-(2-methylpropyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbohydrazide
Names & synonyms
SCHEMBL5723086YZHUXEUPPCHVEZ-RSXGOPAZSA-N(2S,4R)-4-(4-Methoxy -benzylsulfanyl)-1-(naphthalene-2-sulfonyl)-pyrrolidine-2-carboxylic acid N'-isobutyl-hydrazide(2S,4R)-4-(4-Methoxy-benzylsulfanyl)-1-(naphthalene-2-sulfonyl)-pyrrolidine-2-carboxylic acid N'-isobutyl-hydrazide
Database identifiers
- PubChem CID
- 69543784
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 810
Related reactions
3 records
Compound notes
Loading…