Basic information
- Standard SMILES
COC(=O)N(C)[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc(-c3ccc(-c4ccc(-c5cnc([C@@H]6C[C@H](C)CN6)[nH]5)cc4)cc3)cc2[nH]1)C(C)C.Cl- InChIKey
KURLVALDJISRGW-DMUPGHHHSA-N- Molecular formula
- C40H48ClN7O3
- Average molar mass
- 710.3 g/mol
Names & identifiers
- Preferred name
- Methyl-{(S)-2-methyl-1-[(2S,4S)-4-methyl-2-(5-{4'-[2-((2S,4S)-4-methyl-pyrrolidin-2-yl)-1H-imidazol-4-yl]-biphenyl-4-yl}-1H-benzoimidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester hydrochloride
- IUPAC
- methyl N-methyl-N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[6-[4-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;hydrochloride
Names & synonyms
SCHEMBL2451385SCHEMBL14841692KURLVALDJISRGW-DMUPGHHHSA-Nmethyl {(S)-2-methyl-1-[(2S,4S)-4-methyl-2-(5-{4'-[2-((2S,4S)-4-methyl-pyrrolidin-2-yl)-1H-imidazol-4-yl]-biphenyl-4-yl}-1H-benzoimidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester hydrochloridemethyl methyl((S)-3-methyl-1-((2S,4S)-4-methyl-2-(6-(4'-(2-((2S,4S)-4-methylpyrrolidin-2-yl)-1H-imidazol-5-yl)[1,1'-biphenyl]-4-yl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-1-oxobutan-2-yl)carbamate hydrochlorideMethyl-{(S)-2-methyl-1-[(2S,4S)-4-methyl-2-(5-{4'-[2-((2S,4S)-4-methyl-pyrrolidin-2-yl)-1H-imidazol-4-yl]-biphenyl-4-yl}-1H-benzoimidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester hydrochloride
Database identifiers
- PubChem CID
- 67413654
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
1 records
Compound notes
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