Basic information
- Standard SMILES
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(O)c1nccs1- InChIKey
WXMNTAZXAOQAAA-HEHBBPHXSA-N- Molecular formula
- C21H34N4O5S
- Average molar mass
- 454.6 g/mol
Names & identifiers
- Preferred name
- 2-[([1,3]-Thiazol-2-yl)hydroxymethyl]-1-{N-[N-(tertbutyloxycarbonyl) (L)-Alanyl]-(L)-Valinyl}-(2S)-pyrrolidine
- IUPAC
- tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[hydroxy(1,3-thiazol-2-yl)methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Names & synonyms
SCHEMBL4405352WXMNTAZXAOQAAA-HEHBBPHXSA-N2-[([1,3]-Thiazol-2-yl)hydroxymethyl]-1-{N -[N-(tertbutyloxycarbonyl) (L)-Alanyl]-(L)-Valinyl}-(2S)-pyrrolidine
Database identifiers
- PubChem CID
- 69030757
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 654
Related reactions
2 records
Compound notes
Loading…