Basic information
- Standard SMILES
COCCCn1cc(C)c2ccc(C(=O)N(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CO)C(C)C)cc21- InChIKey
ZWHKCKARDWYJLQ-GOTSBHOMSA-N- Molecular formula
- C28H43N3O5
- Average molar mass
- 501.7 g/mol
- Monoisotopic mass
- 501.32027148
Names & identifiers
- Preferred name
- (3S,4R)-3-Hydroxymethyl-4-({isopropyl-[1-(3-methoxy-propyl)-3-methyl-1H-indole-6-carbonyl]-amino}-methyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (3S,4R)-3-(hydroxymethyl)-4-[[[1-(3-methoxypropyl)-3-methylindole-6-carbonyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL3369919ZWHKCKARDWYJLQ-GOTSBHOMSA-N(3S,4R)-3-Hydroxymethyl-4-({isopropyl-[1-(3-methoxy-propyl)-3-methyl-1H-indole-6-carbonyl]-amino}-methyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68616183
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 739
Related reactions
2 records
Compound notes
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