Basic information
- Standard SMILES
COC(=O)c1nc(C2=CCN(C(=O)OC(C)(C)C)CC2)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C- InChIKey
HBIAOIUCEVBQSJ-UHFFFAOYSA-N- Molecular formula
- C26H38N4O8
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.26896418
Names & identifiers
- Preferred name
- methyl 3-[bis(tert-butoxycarbonyl)amino]-6-(1-tert-butoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine-2-carboxylate
- IUPAC
- methyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazine-2-carboxylate
Names & synonyms
SCHEMBL618168HBIAOIUCEVBQSJ-UHFFFAOYSA-Nmethyl 3-[bis(tert-butoxycarbonyl)amino]-6-(1-tert-butoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine-2-carboxylate
Database identifiers
- PubChem CID
- 66745644
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 901
Related reactions
4 records
Compound notes
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