Basic information
- Standard SMILES
CCOC(=O)c1csc([C@H](O)C[C@@H](N[S@@](=O)C(C)(C)C)C(C)C)n1- InChIKey
PVGZSUZLFWZUTA-BRHMAQAHSA-N- Molecular formula
- C16H28N2O4S2
- Average molar mass
- 376.5 g/mol
Names & identifiers
- Preferred name
- ethyl 2-((1R,3R)-3-(N-sulfinyl)amino-1-hydroxy-4-methylpentyl)thiazole-4-carboxylate
- IUPAC
- ethyl 2-[(1R,3R)-3-[[(S)-tert-butylsulfinyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate
Names & synonyms
SCHEMBL909925ethyl 2-((1R,3R)-3-(N-sulfinyl)amino-1-hydroxy-4-methylpentyl)thiazole-4-carboxylateEthyl 2-((1R,3R)-3-(((S)-tert-butylsulfinyl)amino)-1-hydroxy-4-methylpentyl)thiazole-4-carboxylatePVGZSUZLFWZUTA-BRHMAQAHSA-N1032072-35-7CS-0159368(+)-2-[(SS,1R,3R)-1-Hydroxy-4-methyl-3-(2-methyl-propane-2-sulfinylamino)-pentyl]-thiazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 24906124
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 440
Related reactions
2 records
Compound notes
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