Cyclopropanecarboxamide, N-[[[(1R,2R)-2-[5,5-difluoro-5-(3-hydroxy-6-methoxy-...
C40H52F4N6O9S
1535212-07-7 Copyright (C) 2025 ACS
 63 69  0  0  1  0  0  0  0  0999 V2000
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M  END
> <cas.rn>
1535212-07-7

> <ca.index.name>
Cyclopropanecarboxamide, N-[[[(1R,2R)-2-[5,5-difluoro-5-(3-hydroxy-6-methoxy-2-quinoxalinyl)pentyl]cyclopropyl]oxy]carbonyl]-3-methyl-L-valyl-(3S,4R)-3-ethyl-4-hydroxy-L-prolyl-1-amino-2-(difluoromethyl)-N-[(1-methylcyclopropyl)sulfonyl]-, cyclic (1→2)-ether, (1R,2R)-

> <molecular.formula>
C40H52F4N6O9S

> <smiles.canonical>
O=C1OC2CC2CCCCC(F)(F)C=3N=C4C=CC(OC)=CC4=NC3OC5CN(C(=O)C(N1)C(C)(C)C)C(C(=O)NC6(C(=O)NS(=O)(=O)C7(C)CC7)CC6C(F)F)C5CC

> <smiles.isomeric>
N(C(=O)[C@H]1N2C[C@@]([C@H]1CC)(OC=3C(=NC=4C(N3)=CC(OC)=CC4)C(F)(F)CCCC[C@]5([C@](OC(=O)N[C@@H](C(C)(C)C)C2=O)(C5)[H])[H])[H])[C@@]6(C(NS(=O)(=O)C7(C)CC7)=O)[C@H](C(F)F)C6

> <molecular.weight>
868.94

> <density.predicted>
1.424±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
5.485±0.40    Most Acidic Temp: 25 °C

$$$$
