Basic information
- Standard SMILES
CCOC(=O)C(c1ccccc1)C(CCCCNC(=O)OCc1ccccc1)OS(=O)(=O)c1ccc(C)cc1- InChIKey
LQIUYKKLKFATBZ-UHFFFAOYSA-N- Molecular formula
- C30H35NO7S
- Average molar mass
- 553.7 g/mol
Names & identifiers
- Preferred name
- ethyl 7-(N-benzyloxycarbonylamino)-3-p-toluenesulfonyloxy-2-phenylheptanoate
- IUPAC
- ethyl 3-(4-methylphenyl)sulfonyloxy-2-phenyl-7-(phenylmethoxycarbonylamino)heptanoate
Names & synonyms
SCHEMBL8618038LQIUYKKLKFATBZ-UHFFFAOYSA-Nethyl 7-(N-benzyloxycarbonylamino)-3-p-toluenesulfonyloxy-2-phenylheptanoate
Database identifiers
- PubChem CID
- 18980751
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 823
Related reactions
2 records
Compound notes
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