Basic information
- Standard SMILES
CC(C)[C@H](Nc1nccs1)C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](Nc5nccs5)C(C)C)n4)cc3)cc2)c[nH]1- InChIKey
BPLJMJBFANCKLZ-ZYADHFCISA-N- Molecular formula
- C42H48N10O2S2
- Average molar mass
- 789 g/mol
- Monoisotopic mass
- 788.34031316
Names & identifiers
- Preferred name
- N,N'-(4,4'-biphenyldiylbis(1H-imidazole-4,2-diyl(2S)-2,1-pyrrolidinediyl((2S)-3-methyl-1-oxo-1,2-butanediyl)))bis(1,3-thiazol-2-amine)
- IUPAC
- (2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(1,3-thiazol-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-(1,3-thiazol-2-ylamino)butan-1-one
Names & synonyms
SCHEMBL3423032SCHEMBL11982064BPLJMJBFANCKLZ-ZYADHFCISA-NN,N'-(4,4'-biphenyldiylbis(1H-imidazole-4,2-diyl(2S)-2,1-pyrrolidinediyl((2S)-3-methyl-1-oxo-1,2-butanediyl)))bis(1,3-thiazol-2-amine)
Database identifiers
- PubChem CID
- 25229754
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
2 records
Compound notes
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