3-Oxabicyclo[3.1.0]hexane-6-carboxamide, N-[(2R,14S,18S)-2-[5-(4-cyclopropyl-...
C47H60N8O6S
2765082-12-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  62 71 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 7.9752 2.5587 0.0 0
M  V30 2 C 8.6722 1.1855 0.0 0
M  V30 3 C 6.0879 2.4175 0.0 0
M  V30 4 O 4.8265 1.5341 0.0 0
M  V30 5 C 7.4836 1.7667 0.0 0
M  V30 6 C 4.9606 0.0000 0.0 0
M  V30 7 C 7.6661 7.3230 0.0 0
M  V30 8 C 6.8846 9.1550 0.0 0
M  V30 9 O 9.0980 13.2682 0.0 0
M  V30 10 N 16.7755 10.5262 0.0 0
M  V30 11 C 17.9878 9.5765 0.0 0
M  V30 12 O 17.7714 8.0517 0.0 0
M  V30 13 O 16.9837 12.0436 0.0 0
M  V30 14 C 8.2638 5.2853 0.0 0
M  V30 15 C 9.4707 6.2615 0.0 0
M  V30 16 N 8.8160 3.8489 0.0 0
M  V30 17 C 10.7213 5.4146 0.0 0
M  V30 18 C 9.5937 7.7996 0.0 0
M  V30 19 C 10.3639 3.9242 0.0 0
M  V30 20 C 12.1463 5.8853 0.0 0
M  V30 21 C 8.3559 8.6999 0.0 0
M  V30 22 C 11.5038 2.8783 0.0 0
M  V30 23 C 13.3065 4.8410 0.0 0
M  V30 24 C 8.5659 10.2413 0.0 0
M  V30 25 C 12.9748 3.3376 0.0 0
M  V30 26 C 14.7500 5.4741 0.0 0
M  V30 27 O 10.0132 10.7754 0.0 0
M  V30 28 N 14.7932 7.0210 0.0 0
M  V30 29 C 16.2031 4.9727 0.0 0
M  V30 30 C 10.2823 12.2837 0.0 0
M  V30 31 C 16.2670 7.4624 0.0 0
M  V30 32 S 17.1357 6.1930 0.0 0
M  V30 33 C 11.7180 12.8242 0.0 0
M  V30 34 C 16.5573 8.9941 0.0 0
M  V30 35 N 12.9171 11.8629 0.0 0
M  V30 36 C 11.9504 14.3443 0.0 0
M  V30 37 C 15.3469 9.9512 0.0 0
M  V30 38 N 14.3499 12.4212 0.0 0
M  V30 39 C 13.3832 14.9026 0.0 0
M  V30 40 C 15.5551 11.4684 0.0 0
M  V30 41 C 14.5830 13.9410 0.0 0
M  V30 42 C 6.7238 5.2853 0.0 0
M  V30 43 C 5.9538 3.9516 0.0 0
M  V30 44 C 5.9538 6.6189 0.0 0
M  V30 45 N 4.4138 3.9516 0.0 0
M  V30 46 C 4.4138 6.6189 0.0 0
M  V30 47 C 3.6438 5.2853 0.0 0
M  V30 48 N 3.6438 7.9527 0.0 0
M  V30 49 C 4.4138 9.2864 0.0 0
M  V30 50 C 2.1038 7.9527 0.0 0
M  V30 51 C 3.6438 10.6200 0.0 0
M  V30 52 C 1.3338 9.2864 0.0 0
M  V30 53 N 2.1038 10.6200 0.0 0
M  V30 54 C 1.3338 11.9536 0.0 0
M  V30 55 C 0.0000 12.7236 0.0 0
M  V30 56 C 1.3338 13.4936 0.0 0
M  V30 57 C 19.4163 10.1515 0.0 0
M  V30 58 C 20.3660 11.3640 0.0 0
M  V30 59 C 20.9411 9.9353 0.0 0
M  V30 60 C 21.5471 12.3522 0.0 0
M  V30 61 C 22.4775 10.0406 0.0 0
M  V30 62 O 22.8521 11.5344 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 16
M  V30 3 1 3 4
M  V30 4 1 3 5
M  V30 5 1 3 43
M  V30 6 1 4 6
M  V30 7 1 7 21
M  V30 8 1 8 21
M  V30 9 2 9 30
M  V30 10 1 10 11
M  V30 11 1 10 37
M  V30 12 2 11 12
M  V30 13 1 11 57
M  V30 14 2 13 40
M  V30 15 2 14 15
M  V30 16 1 14 16
M  V30 17 1 14 42
M  V30 18 1 15 17
M  V30 19 1 15 18
M  V30 20 1 16 19
M  V30 21 1 17 19
M  V30 22 2 17 20
M  V30 23 1 18 21
M  V30 24 2 19 22
M  V30 25 1 20 23
M  V30 26 1 21 24
M  V30 27 1 22 25
M  V30 28 2 23 25
M  V30 29 1 23 26
M  V30 30 1 24 27
M  V30 31 1 26 28
M  V30 32 2 26 29
M  V30 33 1 27 30
M  V30 34 2 28 31
M  V30 35 1 29 32
M  V30 36 1 30 33
M  V30 37 1 31 32
M  V30 38 1 31 34
M  V30 39 1 33 35
M  V30 40 1 33 36
M  V30 41 1 34 37
M  V30 42 1 35 38
M  V30 43 1 36 39
M  V30 44 1 37 40
M  V30 45 1 38 40
M  V30 46 1 38 41
M  V30 47 1 39 41
M  V30 48 2 42 43
M  V30 49 1 42 44
M  V30 50 1 43 45
M  V30 51 2 44 46
M  V30 52 2 45 47
M  V30 53 1 46 47
M  V30 54 1 46 48
M  V30 55 1 48 49
M  V30 56 1 48 50
M  V30 57 1 49 51
M  V30 58 1 50 52
M  V30 59 1 51 53
M  V30 60 1 52 53
M  V30 61 1 53 54
M  V30 62 1 54 55
M  V30 63 1 54 56
M  V30 64 1 55 56
M  V30 65 1 57 58
M  V30 66 1 57 59
M  V30 67 1 58 59
M  V30 68 1 58 60
M  V30 69 1 59 61
M  V30 70 1 60 62
M  V30 71 1 61 62
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2765082-12-8

> <cas.index.name>
3-Oxabicyclo[3.1.0]hexane-6-carboxamide, N-[(2R,14S,18S)-2-[5-(4-cyclopropyl-1-piperazinyl)-2-[(1S)-1-methoxyethyl]-3-pyridinyl]-1-ethyl-18,19,20,21-tetrahydro-25,25-dimethyl-15,22-dioxo-17H-5,3-([4,2]-endo-thiazolopropano[1,3]-endo-pyridazinomethanoxypropano)-1H-indol-14-yl]-, (1α,5α,6α)-

> <molecular.formula>
C47H60N8O6S

> <molecular.weight>
865.10

> <density.predicted>
1.46±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
13.85±0.40    Most Acidic Temp: 25 °C

$$$$
