
C45H48N6O8
3055592-99-6 Copyright (C) 2025 ACS
 59 67  0  0  0  0  0  0  0  0999 V2000
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  1 20  1  0  0  0  0
  3 21  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  8  9  2  0  0  0  0
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M  END
> <cas.rn>
3055592-99-6

> <ca.index.name>
Not Yet Assigned

> <molecular.formula>
C45H48N6O8

> <smiles.canonical>
O=C1C=2C=NC=CC2C(=CN1CC)C=3C=C(OC)C(C(=O)N4CCC5(CC4)CCC(CN6CC7=CC=8C(=O)N(C(=O)C8C=C7C6)C9C(=O)NC(=O)CC9)CC5)=C(OC)C3

> <molecular.weight>
800.90

> <density.predicted>
1.436±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
10.703±0.40    Most Acidic Temp: 25 °C

$$$$
