Basic information
- Standard SMILES
COC(=O)[C@H](CC(C)C)NC(=O)C1CSC(c2cccnc2)N1C(=O)OC(C)(C)C- InChIKey
ODJTVKWJXOQDCI-HJOIGYKYSA-N- Molecular formula
- C21H31N3O5S
- Average molar mass
- 437.6 g/mol
- Monoisotopic mass
- 437.19844227
Names & identifiers
- Preferred name
- [N-tert-butoxycarbonyl-2-(3-pyridyl)thiazolidine-4-carbonyl]-L-leucine methyl ester
- IUPAC
- tert-butyl 4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate
Names & synonyms
SCHEMBL9819843ODJTVKWJXOQDCI-HJOIGYKYSA-N[N-tert-butoxycarbonyl-2-(3-pyridyl)thiazolidine-4-carbonyl]-L-leucine methyl ester
Database identifiers
- PubChem CID
- 57112286
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 622
Related reactions
1 records
Compound notes
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