3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one

HCID 22984074

Basic information

Standard SMILES
C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O
InChIKey
JNGZXGGOCLZBFB-YPHZTSLFSA-N
Molecular formula
C27H24F2N4O3
Average molar mass
490.5 g/mol

Names & identifiers

Preferred name
3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
IUPAC
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide

Names & synonyms

CHEMBL117056?-Secretase Inhibitor BZ?-Secretase Inhibitor XXISCHEMBL453583JNGZXGGOCLZBFB-YPHZTSLFSA-NBDBM50223739(S)-2-[2-(3,5-Difluoro-phenyl)-acetylamino]-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-propionamide3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1-H-1,4-benzodiazepin-2-one3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4benzodiazepin-2-one3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5phenyl-1H-1,4-benzodiazepin-2-one3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5phenyl-1H-1,4benzodiazepin-2-one
Show more names
3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one

Database identifiers

PubChem CID
22984074
ChEMBL
CHEMBL117056

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
90.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
36

Related reactions

11 records

Compound notes

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