Basic information
- Standard SMILES
COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(N3CCN(c4ccc(-c5cnc(C6CCCN6C(=O)C(NC(=O)OC)C(C)C)[nH]5)cc4)CC3)cc2)[nH]1)C(C)C- InChIKey
LYAJGTWBULZJIG-UHFFFAOYSA-N- Molecular formula
- C44H58N10O6
- Average molar mass
- 823 g/mol
Names & identifiers
- Preferred name
- {1-[2-(5-{4-[4-(4-{2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-piperazin-1-yl]-phenyl}-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester
- IUPAC
- methyl N-[1-[2-[5-[4-[4-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperazin-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Names & synonyms
SCHEMBL204682LYAJGTWBULZJIG-UHFFFAOYSA-N{1-[2-(5-{4-[4-(4-{2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-piperazin-1-yl]-phenyl}-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester
Database identifiers
- PubChem CID
- 66620719
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,340
Related reactions
4 records
Compound notes
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