Gamitrinib TPP
  -molcms-05222608432D

  0  0  0  0  0  0  0  0  0  0  0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 64 68 0 0 0
M  V30 BEGIN ATOM
M  V30 1 P 0.0 0.0 0.0 0 CHG=1
M  V30 2 C 0.0 0.0 0.0 0
M  V30 3 C 0.0 0.0 0.0 0
M  V30 4 C 0.0 0.0 0.0 0
M  V30 5 C 0.0 0.0 0.0 0
M  V30 6 C 0.0 0.0 0.0 0
M  V30 7 C 0.0 0.0 0.0 0
M  V30 8 C 0.0 0.0 0.0 0
M  V30 9 C 0.0 0.0 0.0 0
M  V30 10 C 0.0 0.0 0.0 0
M  V30 11 C 0.0 0.0 0.0 0
M  V30 12 C 0.0 0.0 0.0 0
M  V30 13 C 0.0 0.0 0.0 0
M  V30 14 C 0.0 0.0 0.0 0
M  V30 15 C 0.0 0.0 0.0 0
M  V30 16 C 0.0 0.0 0.0 0
M  V30 17 C 0.0 0.0 0.0 0
M  V30 18 C 0.0 0.0 0.0 0
M  V30 19 C 0.0 0.0 0.0 0
M  V30 20 C 0.0 0.0 0.0 0
M  V30 21 C 0.0 0.0 0.0 0
M  V30 22 C 0.0 0.0 0.0 0
M  V30 23 C 0.0 0.0 0.0 0
M  V30 24 C 0.0 0.0 0.0 0
M  V30 25 C 0.0 0.0 0.0 0
M  V30 26 N 0.0 0.0 0.0 0
M  V30 27 C 0.0 0.0 0.0 0
M  V30 28 C 0.0 0.0 0.0 0
M  V30 29 C 0.0 0.0 0.0 0
M  V30 30 C 0.0 0.0 0.0 0
M  V30 31 N 0.0 0.0 0.0 0
M  V30 32 C 0.0 0.0 0.0 0
M  V30 33 C 0.0 0.0 0.0 0
M  V30 34 C 0.0 0.0 0.0 0
M  V30 35 C 0.0 0.0 0.0 0
M  V30 36 C 0.0 0.0 0.0 0
M  V30 37 C 0.0 0.0 0.0 0 CFG=2
M  V30 38 O 0.0 0.0 0.0 0
M  V30 39 C 0.0 0.0 0.0 0
M  V30 40 C 0.0 0.0 0.0 0 CFG=1
M  V30 41 O 0.0 0.0 0.0 0
M  V30 42 C 0.0 0.0 0.0 0
M  V30 43 O 0.0 0.0 0.0 0
M  V30 44 N 0.0 0.0 0.0 0
M  V30 45 C 0.0 0.0 0.0 0
M  V30 46 C 0.0 0.0 0.0 0
M  V30 47 C 0.0 0.0 0.0 0
M  V30 48 C 0.0 0.0 0.0 0 CFG=2
M  V30 49 C 0.0 0.0 0.0 0
M  V30 50 C 0.0 0.0 0.0 0 CFG=1
M  V30 51 O 0.0 0.0 0.0 0
M  V30 52 C 0.0 0.0 0.0 0 CFG=1
M  V30 53 O 0.0 0.0 0.0 0
M  V30 54 C 0.0 0.0 0.0 0
M  V30 55 C 0.0 0.0 0.0 0
M  V30 56 C 0.0 0.0 0.0 0 CFG=2
M  V30 57 C 0.0 0.0 0.0 0
M  V30 58 C 0.0 0.0 0.0 0
M  V30 59 C 0.0 0.0 0.0 0
M  V30 60 C 0.0 0.0 0.0 0
M  V30 61 O 0.0 0.0 0.0 0
M  V30 62 C 0.0 0.0 0.0 0
M  V30 63 O 0.0 0.0 0.0 0
M  V30 64 O 0.0 0.0 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 7
M  V30 7 2 7 2
M  V30 8 1 1 8
M  V30 9 1 8 9
M  V30 10 2 9 10
M  V30 11 1 10 11
M  V30 12 2 11 12
M  V30 13 1 12 13
M  V30 14 2 13 8
M  V30 15 1 1 14
M  V30 16 1 14 15
M  V30 17 2 15 16
M  V30 18 1 16 17
M  V30 19 2 17 18
M  V30 20 1 18 19
M  V30 21 2 19 14
M  V30 22 1 1 20
M  V30 23 1 20 21
M  V30 24 1 21 22
M  V30 25 1 22 23
M  V30 26 1 23 24
M  V30 27 1 24 25
M  V30 28 1 25 26
M  V30 29 1 26 27
M  V30 30 1 27 28
M  V30 31 1 28 29
M  V30 32 2 29 30
M  V30 33 1 30 31
M  V30 34 1 31 32
M  V30 35 1 32 33
M  V30 36 2 33 34
M  V30 37 1 34 35
M  V30 38 2 35 36
M  V30 39 1 36 37
M  V30 40 1 37 38
M  V30 41 1 38 39
M  V30 42 1 37 40
M  V30 43 1 40 41
M  V30 44 1 41 42
M  V30 45 2 42 43
M  V30 46 1 42 44
M  V30 47 1 40 45
M  V30 48 1 45 46
M  V30 49 2 45 47
M  V30 50 1 47 48
M  V30 51 1 48 49
M  V30 52 1 48 50
M  V30 53 1 50 51
M  V30 54 1 50 52
M  V30 55 1 52 53
M  V30 56 1 53 54
M  V30 57 1 52 55
M  V30 58 1 55 56
M  V30 59 1 56 57
M  V30 60 1 56 58
M  V30 61 1 58 59
M  V30 62 2 59 27
M  V30 63 1 59 60
M  V30 64 1 60 30
M  V30 65 2 60 61
M  V30 66 1 33 62
M  V30 67 2 32 63
M  V30 68 2 28 64
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STERAC1 ATOMS=(6 37 40 48 50 52 56)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <ProductName>
Gamitrinib TPP

>  <CASNumber>
1131626-46-4

>  <MolecularFormula>
C52H65N3O8P

>  <MDLNo>


>  <MolWt>
891.06

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
[P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)CCCCCCNC1C(C=C2NC(C(=CC=C[C@H](OC)[C@@H](OC(=O)N)C(C)=C[C@H](C)[C@@H](O)[C@@H](OC)C[C@H](C)CC=1C2=O)C)=O)=O |t:35,37,48,&1:36,39,47,49,51,55|

$$$$