Tert-butyl 3-(benzylcarbamoyl)-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate
Basic information
- Standard SMILES
COCCCOc1cc(C(=O)N(CC2CN(C(=O)OC(C)(C)C)CC2C(=O)NCc2ccccc2)C(C)C)ccc1OC- InChIKey
KJEVTMDOAJLXPV-UHFFFAOYSA-N- Molecular formula
- C33H47N3O7
- Average molar mass
- 597.7 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-(benzylcarbamoyl)-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-(benzylcarbamoyl)-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL3369851
Database identifiers
- PubChem CID
- 68616151
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 886
Related reactions
2 records
Compound notes
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