Basic information
- Standard SMILES
CC(C)CN1C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)C(=O)N(CC(C)C)c2ccccc21- InChIKey
YMSBEIGQYVQGNU-SFHVURJKSA-N- Molecular formula
- C28H34F2N4O4
- Average molar mass
- 528.6 g/mol
- Monoisotopic mass
- 528.2548119
Names & identifiers
- Preferred name
- 3[N'-(3,5-Difluorophenylacetyl)-L-alaninyl]amino-2,4-dioxo-1,5bis-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
- IUPAC
- (2S)-N-[1,5-bis(2-methylpropyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
Names & synonyms
SCHEMBL4417386YMSBEIGQYVQGNU-SFHVURJKSA-N3-[N'-(3,5-Difluorophenylacetyl)-L-alaninyl]amino-2,4-dioxo-1,5-bis-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine3[N'-(3,5-Difluorophenylacetyl)-L-alaninyl]amino-2,4-dioxo-1,5bis-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Database identifiers
- PubChem CID
- 22984081
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 822
Related reactions
10 records
Compound notes
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