Basic information
- Standard SMILES
CC(C)C[C@@H](C(=O)NNS(=O)(=O)CCCCl)[C@H](C/C=C/c1ccccc1)C(=O)OC(C)(C)C- InChIKey
VBSQKQMFYHTJLQ-WCWNVHNDSA-N- Molecular formula
- C24H37ClN2O5S
- Average molar mass
- 501.1 g/mol
Names & identifiers
- Preferred name
- (E)-2(R)-[1(S)-(tertbutoxycarbonyl)-4-phenyl-3-butenyl]-2'-(3-chloropropylsulphonyl)-4-methylvalerohydrazide
- IUPAC
- tert-butyl (2S,3R)-3-[(3-chloropropylsulfonylamino)carbamoyl]-5-methyl-2-[(E)-3-phenylprop-2-enyl]hexanoate
Names & synonyms
VBSQKQMFYHTJLQ-WCWNVHNDSA-N(E)-2(R)-[1(S)-(tertbutoxycarbonyl)-4-phenyl-3-butenyl]-2'-(3-chloropropylsulphonyl)-4-methylvalerohydrazide
Database identifiers
- PubChem CID
- 86756751
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 735
Related reactions
1 records
Compound notes
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