Basic information
- Standard SMILES
C=CCON([C@@H]1C=C(C)[C@@H](CO)N(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
ANXFNDGLSFYSEH-SJLPKXTDSA-N- Molecular formula
- C21H29N3O8S
- Average molar mass
- 483.5 g/mol
Names & identifiers
- Preferred name
- (2S,5R)-tert-butyl 5-(N-(allyloxy)-2-nitrophenylsulfonamido)-2-(hydroxymethyl)-3-methyl-5,6-dihydropyridine-1(2H)-carboxylate
- IUPAC
- tert-butyl (3R,6S)-6-(hydroxymethyl)-5-methyl-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-3,6-dihydro-2H-pyridine-1-carboxylate
Names & synonyms
SCHEMBL15320216SCHEMBL29592544ANXFNDGLSFYSEH-SJLPKXTDSA-N(2S,5R)-tert-butyl 5-(N-(allyloxy)-2-nitrophenylsulfonamido)-2-(hydroxymethyl)-3-methyl-5,6-dihydropyridine-1(2H)-carboxylate
Database identifiers
- PubChem CID
- 89852407
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 856
Related reactions
2 records
Compound notes
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