Basic information
- Standard SMILES
CCCNC(=O)O[C@H](c1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C- InChIKey
MFTGCRGJJDDLOP-NPLMNSEMSA-N- Molecular formula
- C36H53N3O8
- Average molar mass
- 655.8 g/mol
Names & identifiers
- Preferred name
- (3R,4S)-3-({isopropyl-[4-methoxy-3-(3-methoxy-propoxy)-benzoyl]-amino}-methyl)-4-((S)-1-phenyl-propylcarbamoyloxymethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (3R,4S)-3-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]-4-[(S)-phenyl(propylcarbamoyloxy)methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL3373111MFTGCRGJJDDLOP-NPLMNSEMSA-N(3R,4S)-3-({isopropyl-[4-methoxy-3-(3-methoxy-propoxy)-benzoyl]-amino}-methyl)-4-((S)-1-phenyl-propylcarbamoyloxymethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68617439
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 966
Related reactions
1 records
Compound notes
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