Basic information
- Standard SMILES
COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6CCCN6C(=O)C(NC(=O)OC(C)(C)C)c6ccccc6)[nH]5)cc4)ccc3c2)[nH]1)C(C)C- InChIKey
HKXKRWJAGNJINL-UHFFFAOYSA-N- Molecular formula
- C50H56N8O6
- Average molar mass
- 865 g/mol
- Monoisotopic mass
- 864.43228154
Names & identifiers
- Preferred name
- [1-(2-{5-[6-(4-{2-[1-(2-tert-Butoxycarbonylamino-2-phenyl-acetyl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-naphthalen-2-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester
- IUPAC
- tert-butyl N-[2-[2-[5-[4-[6-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
Names & synonyms
SCHEMBL6126862HKXKRWJAGNJINL-UHFFFAOYSA-N[1-(2-{5-[6-(4-{2-[1-(2-tert-Butoxycarbonylamino-2-phenyl-acetyl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-naphthalen-2-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester
Database identifiers
- PubChem CID
- 69675475
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,600
Related reactions
9 records
Compound notes
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