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Chemical structure of (1R,3S)-Compound E

GC73081

(1R,3S)-Compound E

Also known as (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide

(1R,3S)-Compound E is the isomer of Compound E , and can be used as an experimental control

ChemicalCAS504428-17-5MW490.5FormulaC27H24F2N4O3
CAS number
504428-17-5
Molecular weight
490.5
Formula
C27H24F2N4O3
Solubility
DMSO ： ≥ 50 mg/mL (101·94 mM)
InChIKey
JNGZXGGOCLZBFB-PUAOIOHZSA-N
Catalogue number
GC73081
Brand
GLPBIO
Computed properties PubChem CID 68274344 · XLogP 3.6 · TPSA 90.9 Ų · H-bond donors 2
XLogP
3.6
TPSA
90.9 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36

SMILES C[C@H](C(=O)N[C@@H]1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CC4=CC(=CC(=C4)F)F

Computed descriptors from PubChem (CID 68274344), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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