Basic information
- Standard SMILES
CCOC(=O)n1c(C(=O)c2cc(COC(C)=O)co2)c(NC(=O)[C@H](C)OC(C)=O)c2ccc(Cl)cc21- InChIKey
MNYCUWKRWZCTEU-LBPRGKRZSA-N- Molecular formula
- C24H23ClN2O9
- Average molar mass
- 518.9 g/mol
- Monoisotopic mass
- 518.109208
Names & identifiers
- Preferred name
- 2-(4-Acetoxymethyl-2-furoyl)-6-chloro-1-ethoxycarbonyl-3-[[(S)-2-acetoxypropionyl]amino]indole
- IUPAC
- ethyl 2-[4-(acetyloxymethyl)furan-2-carbonyl]-3-[[(2S)-2-acetyloxypropanoyl]amino]-6-chloroindole-1-carboxylate
Names & synonyms
SCHEMBL7507278MNYCUWKRWZCTEU-LBPRGKRZSA-N2-(4-Acetoxymethyl-2-furoyl)-6-chloro-1-ethoxycarbonyl-3-[[(S)-2-acetoxypropionyl]amino]indole
Database identifiers
- PubChem CID
- 54082255
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 869
Related reactions
2 records
Compound notes
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