Basic information
- Standard SMILES
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CN1C(=O)OC(C)(C)C)C(=O)OCC- InChIKey
MFPNGSKEDSSMEI-VDQVMUTISA-N- Molecular formula
- C25H31N3O9
- Average molar mass
- 517.5 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-tert-butyl 2-((1R,2S)-1-(ethoxycarbonyl)-2-vinylcyclopropylcarbamoyl)-4-(4-nitrobenzoyloxy)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethenyl-1-ethoxycarbonylcyclopropyl]carbamoyl]-4-(4-nitrobenzoyl)oxypyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL2132073MFPNGSKEDSSMEI-VDQVMUTISA-N(2S,4R)-tert-butyl 2-((1R,2S)-1-(ethoxycarbonyl)-2-vinylcyclopropylcarbamoyl)-4-(4-nitrobenzoyloxy)pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 59165437
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 933
Related reactions
4 records
Compound notes
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