(2R,4R)-4-Hydroxy-2-{4-[2-(4-nitrobenzyloxycarbonyl)oxyethyl]-1-piperazinylcarbonyl}-1-(4-nitrobenzyloxycarbonyl)pyrrolidine

HCID 86752007

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

Related reactions

4 records

Compound notes

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