Basic information
- Standard SMILES
COC(=O)N(C)[C@H]1[C@@H](C)C[C@@H](c2ccncc2N)C[C@H]1NC(=O)OC(C)(C)C- InChIKey
XEOUCFVVYKZRFN-IXKJSCDLSA-N- Molecular formula
- C20H32N4O4
- Average molar mass
- 392.5 g/mol
Names & identifiers
- Preferred name
- methyl ((1S,2R,4R,6S)-4-(3-aminopyridin-4-yl)-2-((tert-butoxycarbonyl)amino)-6-methylcyclohexyl)(methyl)carbamate
- IUPAC
- methyl N-[(1S,2S,4R,6R)-4-(3-amino-4-pyridinyl)-2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-N-methylcarbamate
Names & synonyms
SCHEMBL15588838XEOUCFVVYKZRFN-IXKJSCDLSA-N(+/-)-methyl ((1 S,2R,4R,6S)-4-(3-aminopyridin-4-yl)-2-((tert-butoxycarbonyl)amino)-6-methylcyclohexyl)(methyl)carbamate(+/-)-methyl ((1S,2R,4R,6S)-4-(3-aminopyridin-4-yl)-2-((tert-butoxycarbonyl)amino)-6-methylcyclohexyl)(methyl)carbamatemethyl ((1S,2R,4R,6S)-4-(3-aminopyridin-4-yl)-2-((tert-butoxycarbonyl)amino)-6-methylcyclohexyl)(methyl)carbamate
Database identifiers
- PubChem CID
- 86705269
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 551
Related reactions
3 records
Compound notes
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