Basic information
- Standard SMILES
CCOC(OCC)[C@H](CC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(N)cc1O- InChIKey
YDDONXYSIMMXJG-ZDUSSCGKSA-N- Molecular formula
- C18H30N2O7S
- Average molar mass
- 418.5 g/mol
Names & identifiers
- Preferred name
- (S)-3-(4-amino-2-hydroxy-benzenesulfonylamino)-4,4-diethoxy-butyric acid tert-butyl ester
- IUPAC
- tert-butyl (3S)-3-[(4-amino-2-hydroxyphenyl)sulfonylamino]-4,4-diethoxybutanoate
Names & synonyms
SCHEMBL6175367YDDONXYSIMMXJG-ZDUSSCGKSA-N(S)-3-(4-amino-2-hydroxy-benzenesulfonylamino)-4,4-diethoxy-butyric acid tert-butyl ester
Database identifiers
- PubChem CID
- 69692264
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 580
Related reactions
2 records
Compound notes
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