Vasopressin, 8-L-lysine-, monoacetate (salt)
C46H65N13O12S2.C2H4O2
83968-49-4 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  77 79 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 14.5251 17.7507 0.0 0
M  V30 2 C 13.1915 18.5207 0.0 0
M  V30 3 O 15.8588 18.5207 0.0 0
M  V30 4 O 14.5251 16.2107 0.0 0
M  V30 5 C 17.7104 9.3358 0.0 0
M  V30 6 O 18.4804 8.0022 0.0 0
M  V30 7 C 21.0424 9.6860 0.0 0
M  V30 8 N 22.5489 10.0064 0.0 0
M  V30 9 O 20.5665 8.2215 0.0 0
M  V30 10 C 23.5793 8.8618 0.0 0 CFG=1
M  V30 11 C 25.0858 9.1820 0.0 0
M  V30 12 C 23.1034 7.3972 0.0 0
M  V30 13 N 25.5616 10.6467 0.0 0
M  V30 14 O 26.1162 8.0376 0.0 0
M  V30 15 C 24.1339 6.2527 0.0 0
M  V30 16 C 27.0679 10.9669 0.0 0
M  V30 17 C 23.6580 4.7881 0.0 0
M  V30 18 C 27.5440 12.4315 0.0 0
M  V30 19 C 24.6886 3.6436 0.0 0
M  V30 20 N 26.5134 13.5760 0.0 0
M  V30 21 O 29.0503 12.7518 0.0 0
M  V30 22 N 24.2126 2.1790 0.0 0
M  V30 23 O 13.0903 9.3358 0.0 0
M  V30 24 C 13.8603 5.3348 0.0 0
M  V30 25 C 15.4003 5.3348 0.0 0
M  V30 26 N 16.1704 6.6685 0.0 0
M  V30 27 O 16.1704 4.0010 0.0 0
M  V30 28 O 11.5503 4.0010 0.0 0
M  V30 29 N 11.5503 14.6707 0.0 0
M  V30 30 C 8.4702 4.0010 0.0 0
M  V30 31 C 9.2402 2.6673 0.0 0
M  V30 32 C 8.4702 1.3337 0.0 0
M  V30 33 N 9.2402 0.0000 0.0 0
M  V30 34 O 6.9302 1.3337 0.0 0
M  V30 35 O 8.4702 14.6707 0.0 0
M  V30 36 O 6.1601 5.3348 0.0 0
M  V30 37 C 6.1601 13.3370 0.0 0
M  V30 38 C 4.6201 8.0022 0.0 0
M  V30 39 O 4.6201 10.6697 0.0 0
M  V30 40 O 0.0000 13.3370 0.0 0
M  V30 41 N 18.4804 10.6697 0.0 0
M  V30 42 C 20.0120 10.8306 0.0 0 CFG=2
M  V30 43 C 17.8541 12.0765 0.0 0
M  V30 44 C 20.3321 12.3369 0.0 0
M  V30 45 C 18.9985 13.1069 0.0 0
M  V30 46 C 16.1704 9.3358 0.0 0 CFG=2
M  V30 47 N 15.4003 8.0022 0.0 0
M  V30 48 C 15.4003 10.6697 0.0 0
M  V30 49 C 13.8603 8.0022 0.0 0
M  V30 50 S 13.8603 10.6697 0.0 0
M  V30 51 C 13.0903 6.6685 0.0 0 CFG=2
M  V30 52 S 13.0903 12.0033 0.0 0
M  V30 53 N 11.5503 6.6685 0.0 0
M  V30 54 C 11.5503 12.0033 0.0 0
M  V30 55 C 10.7802 5.3348 0.0 0
M  V30 56 C 10.7802 13.3370 0.0 0 CFG=2
M  V30 57 C 9.2402 5.3348 0.0 0 CFG=2
M  V30 58 C 9.2402 13.3370 0.0 0
M  V30 59 N 8.4702 6.6685 0.0 0
M  V30 60 N 8.4702 12.0033 0.0 0
M  V30 61 C 6.9302 6.6685 0.0 0
M  V30 62 C 6.9302 12.0033 0.0 0 CFG=1
M  V30 63 C 6.1601 8.0022 0.0 0 CFG=2
M  V30 64 C 6.1601 10.6697 0.0 0
M  V30 65 N 6.9302 9.3358 0.0 0
M  V30 66 C 4.6201 13.3370 0.0 0
M  V30 67 C 3.8501 14.6707 0.0 0
M  V30 68 C 3.8501 12.0033 0.0 0
M  V30 69 C 2.3100 14.6707 0.0 0
M  V30 70 C 2.3100 12.0033 0.0 0
M  V30 71 C 1.5400 13.3370 0.0 0
M  V30 72 C 3.8501 6.6685 0.0 0
M  V30 73 C 2.3100 6.6685 0.0 0
M  V30 74 C 4.6201 5.3348 0.0 0
M  V30 75 C 1.5400 5.3348 0.0 0
M  V30 76 C 3.8501 4.0010 0.0 0
M  V30 77 C 2.3100 4.0010 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 2 1 4
M  V30 4 2 5 6
M  V30 5 1 5 41
M  V30 6 1 46 5 CFG=1
M  V30 7 1 7 8
M  V30 8 2 7 9
M  V30 9 1 42 7 CFG=1
M  V30 10 1 8 10
M  V30 11 1 10 11
M  V30 12 1 10 12 CFG=3
M  V30 13 1 11 13
M  V30 14 2 11 14
M  V30 15 1 12 15
M  V30 16 1 13 16
M  V30 17 1 15 17
M  V30 18 1 16 18
M  V30 19 1 17 19
M  V30 20 1 18 20
M  V30 21 2 18 21
M  V30 22 1 19 22
M  V30 23 2 23 49
M  V30 24 1 24 25
M  V30 25 1 51 24 CFG=3
M  V30 26 1 25 26
M  V30 27 2 25 27
M  V30 28 2 28 55
M  V30 29 1 56 29 CFG=1
M  V30 30 1 30 31
M  V30 31 1 57 30 CFG=3
M  V30 32 1 31 32
M  V30 33 1 32 33
M  V30 34 2 32 34
M  V30 35 2 35 58
M  V30 36 2 36 61
M  V30 37 1 62 37 CFG=3
M  V30 38 1 37 66
M  V30 39 1 63 38 CFG=3
M  V30 40 1 38 72
M  V30 41 2 39 64
M  V30 42 1 40 71
M  V30 43 1 41 42
M  V30 44 1 41 43
M  V30 45 1 42 44
M  V30 46 1 43 45
M  V30 47 1 44 45
M  V30 48 1 46 47
M  V30 49 1 46 48
M  V30 50 1 47 49
M  V30 51 1 48 50
M  V30 52 1 49 51
M  V30 53 1 50 52
M  V30 54 1 51 53
M  V30 55 1 52 54
M  V30 56 1 53 55
M  V30 57 1 54 56
M  V30 58 1 55 57
M  V30 59 1 56 58
M  V30 60 1 57 59
M  V30 61 1 58 60
M  V30 62 1 59 61
M  V30 63 1 60 62
M  V30 64 1 61 63
M  V30 65 1 62 64
M  V30 66 1 63 65
M  V30 67 1 64 65
M  V30 68 2 66 67
M  V30 69 1 66 68
M  V30 70 1 67 69
M  V30 71 2 68 70
M  V30 72 2 69 71
M  V30 73 1 70 71
M  V30 74 2 72 73
M  V30 75 1 72 74
M  V30 76 1 73 75
M  V30 77 2 74 76
M  V30 78 2 75 77
M  V30 79 1 76 77
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(8 10 42 46 51 56 57 62 63)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
83968-49-4

> <cas.index.name>
Vasopressin, 8-L-lysine-, monoacetate (salt)

> <molecular.formula>
C46H65N13O12S2.C2H4O2

> <molecular.weight>
1116.27

$$$$
