Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@H]1CCc2nc(NC(=O)OCc3ccccc3)sc2C1- InChIKey
GHIGTWWCICTREG-AWEZNQCLSA-N- Molecular formula
- C20H25N3O4S
- Average molar mass
- 403.5 g/mol
Names & identifiers
- Preferred name
- ((S)-6-tert-butoxycarbonylamino-4,5,6,7-tetrahydro-benzothiazol-2-yl)-carbamic acid benzyl ester
- IUPAC
- benzyl N-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamate
Names & synonyms
SCHEMBL308041GHIGTWWCICTREG-AWEZNQCLSA-N((S)-6-tert-butoxycarbonylamino-4,5,6,7-tetrahydro-benzothiazol-2-yl)-carbamic acid benzyl ester
Database identifiers
- PubChem CID
- 59190873
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 548
Related reactions
2 records
Compound notes
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