(3′R,4′S,5′R)-6′′-Chloro-4′-(3-chloro-2-fluorophenyl)-N-[4-[[[5-[2-(2,6-dioxo...
C48H43Cl2FN6O6
2136247-12-4 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  63 71 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O 7.3052 15.6950 0.0 0
M  V30 2 C 12.4610 10.6695 0.0 0
M  V30 3 N 13.2310 9.3358 0.0 0
M  V30 4 O 13.2310 12.0031 0.0 0
M  V30 5 F 7.9548 14.2043 0.0 0
M  V30 6 Cl 8.9065 17.1335 0.0 0
M  V30 7 Cl 0.0000 12.2911 0.0 0
M  V30 8 C 19.3910 9.3358 0.0 0
M  V30 9 N 20.1610 8.0020 0.0 0
M  V30 10 O 20.1610 10.6695 0.0 0
M  V30 11 C 21.7010 8.0020 0.0 0
M  V30 12 C 22.4710 6.6684 0.0 0
M  V30 13 C 24.0110 6.6684 0.0 0
M  V30 14 C 24.7810 5.3347 0.0 0
M  V30 15 C 25.5510 4.0011 0.0 0
M  V30 16 O 31.2819 0.6234 0.0 0
M  V30 17 O 30.2983 6.2654 0.0 0
M  V30 18 O 35.6330 6.2654 0.0 0
M  V30 19 C 7.3052 12.3447 0.0 0 CFG=2
M  V30 20 C 8.5510 9.8995 0.0 0
M  V30 21 C 10.0157 11.9153 0.0 0 CFG=1
M  V30 22 C 4.5946 12.7739 0.0 0
M  V30 23 C 6.0593 14.7899 0.0 0
M  V30 24 N 10.0157 9.4236 0.0 0
M  V30 25 C 7.1443 10.5258 0.0 0
M  V30 26 C 8.7120 8.3679 0.0 0
M  V30 27 C 10.9210 10.6695 0.0 0 CFG=2
M  V30 28 C 3.6894 14.0199 0.0 0
M  V30 29 C 3.9683 11.3671 0.0 0
M  V30 30 N 4.5946 15.2658 0.0 0
M  V30 31 C 5.8984 9.6206 0.0 0
M  V30 32 C 7.4661 7.4627 0.0 0
M  V30 33 C 2.1579 13.8588 0.0 0
M  V30 34 C 2.4368 11.2062 0.0 0
M  V30 35 C 6.0593 8.0890 0.0 0
M  V30 36 C 1.5315 12.4520 0.0 0
M  V30 37 C 10.4916 13.3800 0.0 0
M  V30 38 C 9.4612 14.5244 0.0 0
M  V30 39 C 11.9979 13.7002 0.0 0
M  V30 40 C 9.9371 15.9891 0.0 0
M  V30 41 C 12.4739 15.1648 0.0 0
M  V30 42 C 11.4433 16.3093 0.0 0
M  V30 43 C 14.7710 9.3358 0.0 0
M  V30 44 C 15.5410 10.6695 0.0 0
M  V30 45 C 15.5410 8.0020 0.0 0
M  V30 46 C 17.0810 10.6695 0.0 0
M  V30 47 C 17.0810 8.0020 0.0 0
M  V30 48 C 17.8510 9.3358 0.0 0
M  V30 49 C 26.3210 2.6673 0.0 0
M  V30 50 C 27.8611 2.6673 0.0 0
M  V30 51 C 25.5510 1.3336 0.0 0
M  V30 52 C 28.6311 1.3336 0.0 0
M  V30 53 C 28.8915 3.8118 0.0 0
M  V30 54 C 26.3210 0.0000 0.0 0
M  V30 55 C 30.1373 1.6538 0.0 0
M  V30 56 C 27.8611 0.0000 0.0 0
M  V30 57 N 30.2983 3.1854 0.0 0
M  V30 58 C 31.6321 3.9554 0.0 0 CFG=3
M  V30 59 C 31.6321 5.4954 0.0 0
M  V30 60 C 32.9657 3.1854 0.0 0
M  V30 61 N 32.9657 6.2654 0.0 0
M  V30 62 C 34.2994 3.9554 0.0 0
M  V30 63 C 34.2994 5.4954 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 23
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 1 27 2 CFG=3
M  V30 5 1 3 43
M  V30 6 1 5 38
M  V30 7 1 6 40
M  V30 8 1 7 36
M  V30 9 1 8 9
M  V30 10 2 8 10
M  V30 11 1 8 48
M  V30 12 1 9 11
M  V30 13 1 11 12
M  V30 14 1 12 13
M  V30 15 1 13 14
M  V30 16 3 14 15
M  V30 17 1 15 49
M  V30 18 2 16 55
M  V30 19 2 17 59
M  V30 20 2 18 63
M  V30 21 1 19 20
M  V30 22 1 19 21
M  V30 23 1 19 22 CFG=3
M  V30 24 1 19 23
M  V30 25 1 20 24
M  V30 26 1 20 25
M  V30 27 1 20 26
M  V30 28 1 21 27
M  V30 29 1 21 37 CFG=1
M  V30 30 1 22 28
M  V30 31 2 22 29
M  V30 32 1 23 30
M  V30 33 1 24 27
M  V30 34 1 25 31
M  V30 35 1 26 32
M  V30 36 1 28 30
M  V30 37 2 28 33
M  V30 38 1 29 34
M  V30 39 1 31 35
M  V30 40 1 32 35
M  V30 41 1 33 36
M  V30 42 2 34 36
M  V30 43 2 37 38
M  V30 44 1 37 39
M  V30 45 1 38 40
M  V30 46 2 39 41
M  V30 47 2 40 42
M  V30 48 1 41 42
M  V30 49 2 43 44
M  V30 50 1 43 45
M  V30 51 1 44 46
M  V30 52 2 45 47
M  V30 53 2 46 48
M  V30 54 1 47 48
M  V30 55 2 49 50
M  V30 56 1 49 51
M  V30 57 1 50 52
M  V30 58 1 50 53
M  V30 59 2 51 54
M  V30 60 1 52 55
M  V30 61 2 52 56
M  V30 62 1 53 57
M  V30 63 1 54 56
M  V30 64 1 55 57
M  V30 65 1 57 58
M  V30 66 1 58 59
M  V30 67 1 58 60
M  V30 68 1 59 61
M  V30 69 1 60 62
M  V30 70 1 61 63
M  V30 71 1 62 63
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(3 19 21 27)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2136247-12-4

> <cas.index.name>
Dispiro[cyclohexane-1,2′-pyrrolidine-3′,3′′-[3H]indole]-5′-carboxamide, 6′′-chloro-4′-(3-chloro-2-fluorophenyl)-N-[4-[[[5-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-4-yl]-4-pentyn-1-yl]amino]carbonyl]phenyl]-1′′,2′′-dihydro-2′′-oxo-, (3′R,4′S,5′R)-

> <molecular.formula>
C48H43Cl2FN6O6

> <molecular.weight>
889.80

> <density.predicted>
1.49±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
10.67±0.40    Most Acidic Temp: 25 °C

$$$$
