Ethyl 2-[(1R,3R)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-hydroxy-4-methylpentyl]-4-thiazolecarboxylate
Basic information
- CAS
944559-48-2- Standard SMILES
CCOC(=O)c1csc([C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1- InChIKey
GRYMFJTXVBVTGF-DGCLKSJQSA-N- Molecular formula
- C17H28N2O5S
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.17189317
Names & identifiers
- Preferred name
- Ethyl 2-[(1R,3R)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-hydroxy-4-methylpentyl]-4-thiazolecarboxylate
- IUPAC
- ethyl 2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylate
Names & synonyms
944559-48-2Ethyl 2-[(1R,3R)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-hydroxy-4-methylpentyl]-4-thiazolecarboxylateEthyl 2-((1R,3R)-3-(((1,1-dimethylethoxy)carbonyl)amino)-1-hydroxy-4-methylpentyl)-4-thiazolecarboxylateRefChem:342297Ethyl 2-((1R,3R)-3-((tert-butoxycarbonyl)amino)-1-hydroxy-4-methylpentyl)thiazole-4-carboxylate4-Thiazolecarboxylic acid, 2-[(1R,3R)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-hydroxy-4-methylpentyl]-, ethyl esterSCHEMBL24140416DTXSID701111049CS-0375513
Database identifiers
- CAS
944559-48-2- PubChem CID
- 16664744
- DTXSID
DTXSID701111049
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…