(2S,5R)-tert-butyl 5-(N-(allyloxy)-2-nitrophenylsulfonamido)-2-carbamoyl-4-isopropyl-5,6-dihydropyridine-1(2H)-carboxylate
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Basic information
- Standard SMILES
C=CCON([C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(N)=O)C=C1C(C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
JNESKSTTXMJFND-OALUTQOASA-N- Molecular formula
- C23H32N4O8S
- Average molar mass
- 524.6 g/mol
Names & identifiers
- Preferred name
- (2S,5R)-tert-butyl 5-(N-(allyloxy)-2-nitrophenylsulfonamido)-2-carbamoyl-4-isopropyl-5,6-dihydropyridine-1(2H)-carboxylate
- IUPAC
- tert-butyl (3R,6S)-6-carbamoyl-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
Names & synonyms
SCHEMBL15320191JNESKSTTXMJFND-OALUTQOASA-N(2S,5R)-tert-butyl 5-(N-(allyloxy)-2-nitrophenylsulfonamido)-2-carbamoyl-4-isopropyl-5,6-dihydropyridine-1(2H)-carboxylate
Database identifiers
- PubChem CID
- 89852385
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 978
Related reactions
2 records
Compound notes
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