Basic information
- Standard SMILES
CCOC(=O)c1nc(N2CC[C@H](NC(=O)OCc3ccccc3)[C@H](OC)C2)sc1C- InChIKey
KNTUYYBSNAZZME-DLBZAZTESA-N- Molecular formula
- C21H27N3O5S
- Average molar mass
- 433.5 g/mol
Names & identifiers
- Preferred name
- Ethyl cis(+/-)-2-(4-{[(benzyloxy)carbonyl]amino}-3-methoxypiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
- IUPAC
- ethyl 2-[(3R,4S)-3-methoxy-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-5-methyl-1,3-thiazole-4-carboxylate
Names & synonyms
KNTUYYBSNAZZME-DLBZAZTESA-NEthyl cis(+/-)-2-(4-{[(benzyloxy)carbonyl]amino}-3-methoxypiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
Database identifiers
- PubChem CID
- 86648491
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 575
Related reactions
4 records
Compound notes
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