Basic information
- Standard SMILES
COc1cc(CC(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F- InChIKey
BUGLCGZKOQZURH-RNALLYIPSA-N- Molecular formula
- C32H32Cl2FN3O5
- Average molar mass
- 628.5 g/mol
Names & identifiers
- Preferred name
- (4-{[(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carbonyl]amino}-3-methoxy-phenyl)-acetic acid
- IUPAC
- 2-[4-[[(2'R,3R,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbonyl]amino]-3-methoxyphenyl]acetic acid
Names & synonyms
SCHEMBL221147BUGLCGZKOQZURH-RNALLYIPSA-N(4-{[(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carbonyl]amino}-3-methoxy-phenyl)-acetic acid
Database identifiers
- PubChem CID
- 58286331
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
2 records
Compound notes
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