Basic information
- Standard SMILES
C=CCON([C@@H]1C=C(C)[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
FDOXUEBQZLKVLY-QAPCUYQASA-N- Molecular formula
- C21H27N3O9S
- Average molar mass
- 497.5 g/mol
Names & identifiers
- Preferred name
- (2S,5R)-5-(N-(allyloxy)-2-nitrophenylsulfonamido)-1-(tert-butoxycarbonyl)-3-methyl-1,2,5,6-tetrahydropyridine-2-carboxylic acid
- IUPAC
- (3R,6S)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-3,6-dihydro-2H-pyridine-6-carboxylic acid
Names & synonyms
SCHEMBL15319797SCHEMBL31286144FDOXUEBQZLKVLY-QAPCUYQASA-N(2S,5R)-5-(N-(allyloxy)-2-nitrophenylsulfonamido)-1-(tert-butoxycarbonyl)-3-methyl-1,2,5,6-tetrahydropyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 89852049
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 931
Related reactions
2 records
Linked notes
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