Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CC[C@H]1CN(C(=O)OC(C)(C)C)CS1)C(=O)OCC#N- InChIKey
VFIJBGJGOKTYJM-KBPBESRZSA-N- Molecular formula
- C19H31N3O6S
- Average molar mass
- 429.5 g/mol
Names & identifiers
- Preferred name
- (S)-tert-butyl 5-((S)-3-((tert-butoxycarbonyl)amino)-4-(cyanomethoxy)-4-oxobutyl)thiazolidine-3-carboxylate
- IUPAC
- tert-butyl (5S)-5-[(3S)-4-(cyanomethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]-1,3-thiazolidine-3-carboxylate
Names & synonyms
SCHEMBL15083319VFIJBGJGOKTYJM-KBPBESRZSA-N(S)-tert-butyl 5-((S)-3-((tert-butoxycarbonyl)amino)-4-(cyanomethoxy)-4-oxobutyl)thiazolidine-3-carboxylate
Database identifiers
- PubChem CID
- 89668482
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 647
Related reactions
2 records
Compound notes
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