N-(1-Oxohexyl)-L-tyrosyl-N-(6-amino-6-oxohexyl)-L-isoleucinamide
C27H44N4O5
1401708-83-5 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  36 36 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 7.7002 6.6685 0.0 0 CFG=2
M  V30 2 C 6.9302 5.3348 0.0 0
M  V30 3 C 9.2402 6.6685 0.0 0
M  V30 4 N 6.9302 8.0022 0.0 0
M  V30 5 N 10.0102 8.0022 0.0 0
M  V30 6 O 10.0102 5.3348 0.0 0
M  V30 7 C 5.3901 8.0022 0.0 0
M  V30 8 C 11.5503 8.0022 0.0 0 CFG=1
M  V30 9 C 4.6201 9.3358 0.0 0
M  V30 10 O 4.6201 6.6685 0.0 0
M  V30 11 C 12.3203 9.3358 0.0 0
M  V30 12 C 12.3203 6.6685 0.0 0 CFG=1
M  V30 13 C 3.0801 9.3358 0.0 0
M  V30 14 N 13.8603 9.3358 0.0 0
M  V30 15 O 11.5503 10.6697 0.0 0
M  V30 16 C 13.8603 6.6685 0.0 0
M  V30 17 C 11.5503 5.3348 0.0 0
M  V30 18 C 2.3101 10.6697 0.0 0
M  V30 19 C 14.6303 10.6697 0.0 0
M  V30 20 C 14.6303 5.3348 0.0 0
M  V30 21 C 0.7700 10.6697 0.0 0
M  V30 22 C 16.1704 10.6697 0.0 0
M  V30 23 C 0.0000 12.0033 0.0 0
M  V30 24 C 16.9404 12.0033 0.0 0
M  V30 25 C 18.4804 12.0033 0.0 0
M  V30 26 C 19.2504 13.3370 0.0 0
M  V30 27 C 20.7905 13.3370 0.0 0
M  V30 28 N 21.5605 12.0033 0.0 0
M  V30 29 O 21.5605 14.6707 0.0 0
M  V30 30 O 10.0102 0.0000 0.0 0
M  V30 31 C 7.7002 4.0010 0.0 0
M  V30 32 C 9.2402 4.0010 0.0 0
M  V30 33 C 6.9302 2.6673 0.0 0
M  V30 34 C 10.0102 2.6673 0.0 0
M  V30 35 C 7.7002 1.3337 0.0 0
M  V30 36 C 9.2402 1.3337 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 4 CFG=3
M  V30 4 1 2 31
M  V30 5 1 3 5
M  V30 6 2 3 6
M  V30 7 1 4 7
M  V30 8 1 8 5 CFG=3
M  V30 9 1 7 9
M  V30 10 2 7 10
M  V30 11 1 8 11
M  V30 12 1 8 12
M  V30 13 1 9 13
M  V30 14 1 11 14
M  V30 15 2 11 15
M  V30 16 1 12 16
M  V30 17 1 12 17 CFG=3
M  V30 18 1 13 18
M  V30 19 1 14 19
M  V30 20 1 16 20
M  V30 21 1 18 21
M  V30 22 1 19 22
M  V30 23 1 21 23
M  V30 24 1 22 24
M  V30 25 1 24 25
M  V30 26 1 25 26
M  V30 27 1 26 27
M  V30 28 1 27 28
M  V30 29 2 27 29
M  V30 30 1 30 36
M  V30 31 2 31 32
M  V30 32 1 31 33
M  V30 33 1 32 34
M  V30 34 2 33 35
M  V30 35 2 34 36
M  V30 36 1 35 36
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(3 1 8 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1401708-83-5

> <cas.index.name>
L-Isoleucinamide, N-(1-oxohexyl)-L-tyrosyl-N-(6-amino-6-oxohexyl)-

> <molecular.formula>
C27H44N4O5

> <molecular.weight>
504.66

> <boiling.point.predicted>
866.2±65.0 °C    Press: 760 Torr

> <density.predicted>
1.111±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.83±0.15    Most Acidic Temp: 25 °C

$$$$
