tert-butyl (3S,5R)-3-[({2-tert-butyl-4-[(3-methoxypropyl)amino]pyrimidin-5-yl}carbonyl)(2-methylpropyl)amino]-5-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}piperidine-1-carboxylate
Basic information
- Standard SMILES
COCCCNc1nc(C(C)(C)C)ncc1C(=O)N(CC(C)C)[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2COC)CN(C(=O)OC(C)(C)C)C1- InChIKey
LLRQHGWOGZCZMR-CYXNTTPDSA-N- Molecular formula
- C34H58N6O6
- Average molar mass
- 646.9 g/mol
Names & identifiers
- Preferred name
- tert-butyl (3S,5R)-3-[({2-tert-butyl-4-[(3-methoxypropyl)amino]pyrimidin-5-yl}carbonyl)(2-methylpropyl)amino]-5-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}piperidine-1-carboxylate
- IUPAC
- tert-butyl (3S,5R)-3-[[2-tert-butyl-4-(3-methoxypropylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL12991832LLRQHGWOGZCZMR-CYXNTTPDSA-Ntert-butyl (3S,5R)-3-[({2-tert-butyl-4-[(3-methoxypropyl)amino]pyrimidin-5-yl}carbonyl)(2-methylpropyl)amino]-5-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 59625617
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 998
Related reactions
1 records
Compound notes
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