Basic information
- Standard SMILES
CC(=O)NC1=CC(=O)c2ccc(-c3nc(C(=O)OCCC(C)C)cc4c3[nH]c3ccccc34)nc2C1=O- InChIKey
IULYISAJSPLCCM-UHFFFAOYSA-N- Molecular formula
- C28H24N4O5
- Average molar mass
- 496.5 g/mol
Names & identifiers
- Preferred name
- 7-N-acetyldemethyllavendamycin isoamyl ester
- IUPAC
- 3-methylbutyl 1-(7-acetamido-5,8-dioxoquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate
Names & synonyms
CHEMBL382106IULYISAJSPLCCM-UHFFFAOYSA-N7-N-acetyldemethyllavendamycin isoamyl ester
Database identifiers
- PubChem CID
- 9892007
- ChEMBL
CHEMBL382106
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 964
Related reactions
6 records
Compound notes
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