AMXT 1501
C32H68N6O2
441022-64-6 Copyright (C) 2025 ACS
 40 39  0  0  1  0  0  0  0  0999 V2000
   21.3393    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    2.3101    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.6731    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    3.8501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.0068    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3383    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3405    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6742    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0080    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3416    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0080    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0035    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.6753    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0090    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3428    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6765    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6687    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0101    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.3440    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.6776    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0113    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.3450    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.6788    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0125    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.3461    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.6798    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.0136    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  6  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <cas.rn>
441022-64-6

> <ca.index.name>
Hexadecanamide, N-[(5R)-5-amino-6-[[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]amino]-6-oxohexyl]-

> <molecular.formula>
C32H68N6O2

> <smiles.canonical>
O=C(NCCCCC(N)C(=O)NCCCNCCCCNCCCN)CCCCCCCCCCCCCCC

> <smiles.isomeric>
C([C@H](C(NCCCNCCCCNCCCN)=O)N)CCCNC(CCCCCCCCCCCCCCC)=O

> <molecular.weight>
568.92

> <boiling.point.predicted>
755.186±60.00 °C    Press: 760.00 Torr

> <density.predicted>
0.958±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
15.335±0.46    Most Acidic Temp: 25 °C

$$$$
