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Basic information
- Standard SMILES
CC(=O)S[C@H]1C[C@@H](CC(=O)N(C)C)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1- InChIKey
AIENGRFEDHQDEW-HOTGVXAUSA-N- Molecular formula
- C18H23N3O6S
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.13075664
Names & identifiers
- Preferred name
- (2R,4S)-1-(p-nitrobenzyloxycarbonyl)-2-dimethylaminocarbonylmethyl-4-acetylthiopyrrolidine
- IUPAC
- (4-nitrophenyl)methyl (2R,4S)-4-acetylsulfanyl-2-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL10371029AIENGRFEDHQDEW-HOTGVXAUSA-N(2R,4S)-1-(p-nitrobenzyloxycarbonyl)-2-dimethylaminocarbonylmethyl-4-acetylthiopyrrolidine
Database identifiers
- PubChem CID
- 14830203
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 601
Related reactions
2 records
Compound notes
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