rac-4-{[(2'S,3'R,4'R,5'R)-6-chloro-4'-(3-chloro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carbonyl]-amino}-3-methoxy-benzoic acid methyl ester
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2)c(OC)c1- InChIKey
ZXGIPCPCUZEZKF-QAZWXMQQSA-N- Molecular formula
- C32H33Cl2N3O5
- Average molar mass
- 610.5 g/mol
Names & identifiers
- Preferred name
- rac-4-{[(2'S,3'R,4'R,5'R)-6-chloro-4'-(3-chloro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carbonyl]-amino}-3-methoxy-benzoic acid methyl ester
- IUPAC
- methyl 4-[[(2'R,3R,3'R,5'S)-6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbonyl]amino]-3-methoxybenzoate
Names & synonyms
SCHEMBL222842ZXGIPCPCUZEZKF-QAZWXMQQSA-Nrac-4-{[(2'S,3'R,4'R,5'R)-6-chloro-4'-(3-chloro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carbonyl]-amino}-3-methoxy-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 53239339
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
2 records
Compound notes
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