Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CCCCN(Cc1ccccc1)C[C@H](O)CC#N)C(=O)OC(C)(C)C- InChIKey
WCMZYCHCIYOONO-YADHBBJMSA-N- Molecular formula
- C26H41N3O5
- Average molar mass
- 475.6 g/mol
Names & identifiers
- Preferred name
- (2S,9R)-7-Benzyl-2-[(tert-butoxycarbonyl)amino]-10-cyano-9-hydroxy-7-azadecanoic Acid tert-Butyl Ester
- IUPAC
- tert-butyl (2S)-6-[benzyl-[(2R)-3-cyano-2-hydroxypropyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
Names & synonyms
SCHEMBL7663223WCMZYCHCIYOONO-YADHBBJMSA-N(2S, 9R)-7-Benzyl-2-[(tert-butoxycarbonyl)amino]-10-cyano-9-hydroxy-7-azadecanoic Acid tert-Butyl Ester(2S,9R)-7-Benzyl-2-[(tert-butoxycarbonyl)amino]-10-cyano-9-hydroxy-7-azadecanoic Acid tert-Butyl Ester
Database identifiers
- PubChem CID
- 10695903
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 668
Related reactions
3 records
Compound notes
Loading…