Basic information
- Standard SMILES
O=C(OCCN1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1)OCc1ccc([N+](=O)[O-])cc1- InChIKey
MEWVBDYDQABOMG-DNQXCXABSA-N- Molecular formula
- C27H31N5O11
- Average molar mass
- 601.6 g/mol
- Monoisotopic mass
- 601.20200682
Names & identifiers
- Preferred name
- (2R,4R)-4-Hydroxy-2-{4-[2-(4-nitrobenzyloxycarbonyl)oxyethyl]-1-piperazinylcarbonyl}-1-(4-nitrobenzyloxycarbonyl)pyrrolidine
- IUPAC
- (4-nitrophenyl)methyl (2R,4R)-4-hydroxy-2-[4-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL8435945MEWVBDYDQABOMG-DNQXCXABSA-N(2R,4R)-4-hydroxy-2-{4-[2-(4-nitrobenzyloxycarbonyl)oxyethyl]-1-piperazinylcarbonyl}-1-(4-nitrobenzyloxycarbonyl)-pyrrolidine(2R,4R)-4-Hydroxy-2-{4-[2-(4-nitrobenzyloxycarbonyl)oxyethyl]-1-piperazinylcarbonyl}-1-(4-nitrobenzyloxycarbonyl)pyrrolidine
Database identifiers
- PubChem CID
- 86752007
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 981
Related reactions
4 records
Compound notes
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