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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(C(=O)CCC(=O)c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1- InChIKey
PURUXGAYIIXWMJ-ACHIHNKUSA-N- Molecular formula
- C40H48N6O6
- Average molar mass
- 708.8 g/mol
- Monoisotopic mass
- 708.36353327
Names & identifiers
- Preferred name
- di-tert-butyl (2S,2'S)-2,2'-[(1,4-dioxobutane-1,4-diyl)bis(benzene-4,1-diyl-1H-imidazole-5,2-diyl)]dipyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2S)-2-[5-[4-[4-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4-oxobutanoyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL13013498PURUXGAYIIXWMJ-ACHIHNKUSA-Ndi-tert-butyl (2S,2'S)-2,2'-[(1,4-dioxobutane-1,4-diyl)bis(benzene-4,1-diyl-1H-imidazole-5,2-diyl)]dipyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 59616670
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
1 records
Compound notes
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