L-α-Glutamyl-L-α-aspartyl-L-arginine
C15H26N6O8
175175-23-2 Copyright (C) 2025 ACS
 29 28  0  0  1  0  0  0  0  0999 V2000
   10.6697    3.8501    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3360    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    6.1601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    6.9302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6708    4.6201    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3372    2.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    2.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    6.1601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    9.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    9.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    6.9302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    2.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9302    0.0000 N   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
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  1  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 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
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
> <cas.rn>
175175-23-2

> <cas.index.name>
L-Arginine, L-α-glutamyl-L-α-aspartyl-

> <molecular.formula>
C15H26N6O8

> <molecular.weight>
418.40

> <density.predicted>
1.630±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
3.146±0.10    Most Acidic Temp: 25 °C

$$$$
