Basic information
- Standard SMILES
CC(C(Cc1ccc(C(=O)Nc2ccccc2)o1)C(=O)OC(C)(C)C)N(C/C=C/c1ccccc1)C(=O)C1OC(=O)CC1C(=O)OC(C)(C)C- InChIKey
HNLTXFNXGWQGDU-SAPNQHFASA-N- Molecular formula
- C39H46N2O9
- Average molar mass
- 686.8 g/mol
Names & identifiers
- Preferred name
- tert-butyl (2RS,3RS)-2-[N-[(1RS,2RS)-2-(tert-butoxycarbonyl)-1-methyl-3-{5-(phenylcarbamoyl)-2-furyl}propyl]-N-{(E)-3-phenyl-2-propenyl}carbamoyl]-5-oxotetrahydrofuran-3-carboxylate
- IUPAC
- tert-butyl 2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[[5-(phenylcarbamoyl)furan-2-yl]methyl]butan-2-yl]-[(E)-3-phenylprop-2-enyl]carbamoyl]-5-oxooxolane-3-carboxylate
Names & synonyms
HNLTXFNXGWQGDU-SAPNQHFASA-Ntert-butyl (2RS,3RS)-2-[N-[(1RS,2RS)-2-(tert-butoxycarbonyl)-1-methyl-3-{5-(phenylcarbamoyl)-2-furyl}propyl]-N-{(E)-3-phenyl-2-propenyl}carbamoyl]-5-oxotetrahydrofuran-3-carboxylate
Database identifiers
- PubChem CID
- 86755318
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
1 records
Compound notes
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