Basic information
- Standard SMILES
CCN1C(=O)Cc2c(CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)COc4ccccc43)cccc21- InChIKey
FJKGNKQMJJKBRW-YJBOKZPZSA-N- Molecular formula
- C24H28N4O4
- Average molar mass
- 436.5 g/mol
Names & identifiers
- Preferred name
- (S)-N-((S)-5-((1-Ethyl-2-oxoindolin-4-yl)methyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-2-(methylamino)propanamide
- IUPAC
- (2S)-N-[(3S)-5-[(1-ethyl-2-oxo-3H-indol-4-yl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-2-(methylamino)propanamide
Names & synonyms
CHEMBL3948020SCHEMBL15565449FJKGNKQMJJKBRW-YJBOKZPZSA-NBDBM237651US9394263, 63(S)-N-((S)-5-((1-Ethyl-2-oxoindolin-4-yl)methyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-2-(methylamino)propanamide
Database identifiers
- PubChem CID
- 73055432
- ChEMBL
CHEMBL3948020
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 716
Related reactions
1 records
Compound notes
Loading…