Basic information
- Standard SMILES
COCCCOc1cc(C(=O)N(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2COC(=O)N(C)CC2CCCCC2)C(C)C)ccc1OC- InChIKey
YIGRAXSTQHJRBW-VMPREFPWSA-N- Molecular formula
- C35H57N3O8
- Average molar mass
- 647.8 g/mol
Names & identifiers
- Preferred name
- (3S,4R)-3-[(cyclohexylmethyl-methyl-carbamoyloxy)-methyl]-4-({isopropyl-[4-methoxy-3-(3-methoxy-propoxy)-benzoyl]-amino}-methyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (3S,4R)-3-[[cyclohexylmethyl(methyl)carbamoyl]oxymethyl]-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL3371386YIGRAXSTQHJRBW-VMPREFPWSA-N(3S,4R)-3-[(cyclohexylmethyl-methyl-carbamoyloxy)-methyl]-4-({isopropyl-[4-methoxy-3-(3-methoxy-propoxy)-benzoyl]-amino}-methyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68616733
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 951
Related reactions
1 records
Compound notes
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