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Basic information
- Standard SMILES
C=C1CC(c2ncc(-c3ccc4cc(-c5ccc(-c6cnc(C7CCCN7C(=O)C(NC(=O)OC)c7ccccc7)[nH]6)cc5)ccc4c3)[nH]2)N(C(=O)C(NC(=O)OC)C(C)C)C1- InChIKey
FXKGVIPNLCAZFB-UHFFFAOYSA-N- Molecular formula
- C48H50N8O6
- Average molar mass
- 835 g/mol
- Monoisotopic mass
- 834.38533134
Names & identifiers
- Preferred name
- [1-(2-{5-[6-(4-{2-[1-(2-Methoxycarbonylamino-2-phenyl-acetyl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-naphthalen-2-yl]-1H-imidazol-2-yl}-4-methylene-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester
- IUPAC
- methyl N-[2-[2-[5-[4-[6-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylidenepyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
Names & synonyms
SCHEMBL6120005FXKGVIPNLCAZFB-UHFFFAOYSA-N[1-(2-{5-[6-(4-{2-[1-(2-Methoxycarbonylamino-2-phenyl-acetyl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-naphthalen-2-yl]-1H-imidazol-2-yl}-4-methylene-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester
Database identifiers
- PubChem CID
- 69672000
Properties
Computed structural propertiesFilling in
- XLogP
- 6.5
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,580
Related reactions
1 records
Compound notes
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