Basic information
- Standard SMILES
C=CCON(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C=C1COC- InChIKey
NIHHTAKPQZRSHX-HOTGVXAUSA-N- Molecular formula
- C21H34N2O8
- Average molar mass
- 442.5 g/mol
Names & identifiers
- Preferred name
- (2S,5R)-5-(allyloxy(tert-butoxycarbonyl)amino)-1-(tert-butoxycarbonyl)-4-(methoxymethyl)-1,2,5,6-tetrahydropyridine-2-carboxylic acid
- IUPAC
- (3R,6S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enoxyamino]-3,6-dihydro-2H-pyridine-6-carboxylic acid
Names & synonyms
SCHEMBL15320958NIHHTAKPQZRSHX-HOTGVXAUSA-N(2S,5R)-5-(allyloxy(tert-butoxycarbonyl)amino)-1-(tert-butoxycarbonyl)-4-(methoxymethyl)-1,2,5,6-tetrahydropyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 89852905
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 705
Related reactions
1 records
Compound notes
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