1-tert-Butyl 3-methyl (3R*,5S*)-5-[({2-tert-butyl-4-[(2-furylmethyl)amino]pyrimidin-5-yl}carbonyl)(isobutyl)amino]piperidine-1,3-dicarboxylate
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Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@H](N(CC(C)C)C(=O)c2cnc(C(C)(C)C)nc2NCc2ccco2)CN(C(=O)OC(C)(C)C)C1- InChIKey
VTIHZALYWDOZKH-RTWAWAEBSA-N- Molecular formula
- C30H45N5O6
- Average molar mass
- 571.7 g/mol
- Monoisotopic mass
- 571.33698417
Names & identifiers
- Preferred name
- 1-tert-Butyl 3-methyl (3R*,5S*)-5-[({2-tert-butyl-4-[(2-furylmethyl)amino]pyrimidin-5-yl}carbonyl)(isobutyl)amino]piperidine-1,3-dicarboxylate
- IUPAC
- 1-O-tert-butyl 3-O-methyl (3R,5S)-5-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]piperidine-1,3-dicarboxylate
Names & synonyms
SCHEMBL2894549VTIHZALYWDOZKH-RTWAWAEBSA-N1-tert-Butyl 3-methyl (3R*,5S*)-5-[({2-tert-butyl-4-[(2-furylmethyl)amino]pyrimidin-5-yl}carbonyl)(isobutyl)amino]piperidine-1,3-dicarboxylate
Database identifiers
- PubChem CID
- 59625519
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 901
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Related reactions
1 records
Compound notes
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