3-[N'-(3,5-Difluorophenylacetyl)-L-alaninyl]amino-2,4-dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1-H-1,5-benzodiazepine
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)c2ccccc2N(C)C1=O- InChIKey
MQFQHTAWAQYJMY-LBPRGKRZSA-N- Molecular formula
- C22H22F2N4O4
- Average molar mass
- 444.4 g/mol
Names & identifiers
- Preferred name
- 3-[N'-(3,5-Difluorophenylacetyl)-L-alaninyl]amino-2,4-dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1-H-1,5-benzodiazepine
- IUPAC
- (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,5-dimethyl-2,4-dioxo-1,5-benzodiazepin-3-yl)propanamide
Names & synonyms
SCHEMBL4422325MQFQHTAWAQYJMY-LBPRGKRZSA-N3-[N'-(3,5-Difluorophenylacetyl)-alaninyl]amino-2,4-dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1H -1,5-benzodiazepine3-[N'-(3,5-Difluorophenylacetyl)-alaninyl]amino-2,4-dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine3-[N'-(3,5-Difluorophenylacetyl)-L-alaninyl]amino-2,4-dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1-H-1,5-benzodiazepine3-[N'-(3,5-Difluorophenylacetyl)-L-alaninyl]amino-2,4-dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine3-[N'-(3,5-Difluorophenylacetyl)-L-alaninyl]amino-2,4dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Database identifiers
- PubChem CID
- 22984083
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 711
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Related reactions
10 records
Compound notes
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