Basic information
- Standard SMILES
COC(=O)C=CC(Cc1cn(Cc2ccccc2)c2ccccc12)NC(=O)CCCCCCc1ccccc1- InChIKey
SYTUPKNRNHAZLX-UHFFFAOYSA-N- Molecular formula
- C34H38N2O3
- Average molar mass
- 522.7 g/mol
Names & identifiers
- Preferred name
- 5-(1-Benzyl-1H-indol-3-yl)-4-(7-phenyl-heptanoylamino)-pent-2-enoic acid methyl ester
- IUPAC
- methyl 5-(1-benzylindol-3-yl)-4-(7-phenylheptanoylamino)pent-2-enoate
Names & synonyms
SCHEMBL5355914SYTUPKNRNHAZLX-UHFFFAOYSA-N5-(1-Benzyl-1H-indol-3-yl)-4-(7-phenyl-heptanoylamino)-pent-2-enoic acid methyl ester
Database identifiers
- PubChem CID
- 69415386
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 756
Related reactions
3 records
Compound notes
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