L-Alanyl-L-alanyl-L-valyl-L-alanyl-L-leucyl-L-leucyl-L-prolyl-L-alanyl-L-valy...
C128H230N38O28
1071173-56-2 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  194 196 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 34.6716 31.9438 0.0 0
M  V30 2 C 36.2116 31.9438 0.0 0 CFG=2
M  V30 3 O 33.9016 33.2774 0.0 0
M  V30 4 N 36.9816 30.6100 0.0 0
M  V30 5 C 36.9816 33.2774 0.0 0
M  V30 6 C 38.5216 30.6100 0.0 0
M  V30 7 C 36.2116 34.6110 0.0 0
M  V30 8 C 39.2916 29.2763 0.0 0 CFG=2
M  V30 9 O 39.2916 31.9438 0.0 0
M  V30 10 C 36.9816 35.9447 0.0 0
M  V30 11 C 34.6716 34.6110 0.0 0
M  V30 12 N 38.5216 27.9427 0.0 0
M  V30 13 C 40.8316 29.2763 0.0 0
M  V30 14 C 39.2916 26.6090 0.0 0
M  V30 15 C 41.6016 30.6100 0.0 0
M  V30 16 C 38.5216 25.2753 0.0 0 CFG=2
M  V30 17 O 40.8316 26.6090 0.0 0
M  V30 18 C 43.1416 30.6100 0.0 0
M  V30 19 C 40.8316 31.9438 0.0 0
M  V30 20 N 39.2916 23.9416 0.0 0
M  V30 21 C 36.9816 25.2753 0.0 0
M  V30 22 C 38.5216 22.6080 0.0 0
M  V30 23 C 39.2916 21.2743 0.0 0 CFG=2
M  V30 24 O 36.9816 22.6080 0.0 0
M  V30 25 N 40.8316 21.2743 0.0 0
M  V30 26 C 38.5216 19.9405 0.0 0
M  V30 27 C 41.6016 19.9405 0.0 0
M  V30 28 C 39.2916 18.6069 0.0 0
M  V30 29 C 36.9816 19.9405 0.0 0
M  V30 30 C 43.1416 19.9405 0.0 0 CFG=2
M  V30 31 O 40.8316 18.6069 0.0 0
M  V30 32 N 43.9116 18.6069 0.0 0
M  V30 33 C 43.9116 21.2743 0.0 0
M  V30 34 C 45.4516 18.6069 0.0 0
M  V30 35 C 46.2216 17.2733 0.0 0 CFG=1
M  V30 36 O 46.2216 19.9405 0.0 0
M  V30 37 C 45.4516 15.9395 0.0 0
M  V30 38 N 47.7616 17.2733 0.0 0
M  V30 39 C 31.3395 31.5934 0.0 0
M  V30 40 N 29.8332 31.2732 0.0 0
M  V30 41 O 31.8155 33.0581 0.0 0
M  V30 42 C 28.8028 32.4178 0.0 0 CFG=1
M  V30 43 C 27.2963 32.0976 0.0 0
M  V30 44 C 29.2786 33.8823 0.0 0
M  V30 45 N 26.2659 33.2420 0.0 0
M  V30 46 O 26.8205 30.6329 0.0 0
M  V30 47 C 24.7595 32.9218 0.0 0 CFG=1
M  V30 48 C 24.2836 31.4571 0.0 0
M  V30 49 C 23.7291 34.0662 0.0 0
M  V30 50 N 22.7774 31.1370 0.0 0
M  V30 51 O 25.3141 30.3127 0.0 0
M  V30 52 C 22.2228 33.7460 0.0 0
M  V30 53 C 24.2049 35.5309 0.0 0
M  V30 54 C 22.3014 29.6724 0.0 0 CFG=1
M  V30 55 C 20.7951 29.3522 0.0 0
M  V30 56 C 23.3319 28.5279 0.0 0
M  V30 57 N 19.7647 30.4966 0.0 0
M  V30 58 O 20.3192 27.8876 0.0 0
M  V30 59 C 22.8561 27.0633 0.0 0
M  V30 60 C 18.2582 30.1765 0.0 0 CFG=1
M  V30 61 C 23.8865 25.9188 0.0 0
M  V30 62 C 21.3496 26.7432 0.0 0
M  V30 63 C 17.2278 31.3210 0.0 0
M  V30 64 C 17.7824 28.7119 0.0 0
M  V30 65 N 17.7037 32.7855 0.0 0
M  V30 66 O 15.7216 31.0008 0.0 0
M  V30 67 C 16.2761 28.3917 0.0 0
M  V30 68 C 16.6733 33.9301 0.0 0 CFG=1
M  V30 69 C 15.8001 26.9271 0.0 0
M  V30 70 C 15.2455 29.5361 0.0 0
M  V30 71 C 17.1491 35.3946 0.0 0
M  V30 72 C 15.1668 33.6099 0.0 0
M  V30 73 N 16.1187 36.5391 0.0 0
M  V30 74 O 18.6556 35.7148 0.0 0
M  V30 75 C 16.5946 38.0037 0.0 0 CFG=1
M  V30 76 C 15.5642 39.1482 0.0 0
M  V30 77 C 18.1010 38.3238 0.0 0
M  V30 78 N 14.0577 38.8280 0.0 0
M  V30 79 O 16.0400 40.6127 0.0 0
M  V30 80 C 18.5769 39.7885 0.0 0
M  V30 81 C 13.0273 39.9724 0.0 0 CFG=1
M  V30 82 C 17.5465 40.9329 0.0 0
M  V30 83 C 20.0831 40.1087 0.0 0
M  V30 84 C 11.5209 39.6522 0.0 0
M  V30 85 C 13.5032 41.4371 0.0 0
M  V30 86 N 11.0450 38.1875 0.0 0
M  V30 87 O 10.4905 40.7966 0.0 0
M  V30 88 C 12.4728 42.5815 0.0 0
M  V30 89 C 9.5388 37.8674 0.0 0 CFG=1
M  V30 90 C 10.9663 42.2613 0.0 0
M  V30 91 C 12.9486 44.0462 0.0 0
M  V30 92 C 9.0629 36.4028 0.0 0
M  V30 93 C 8.5083 39.0119 0.0 0
M  V30 94 O 10.0933 35.2583 0.0 0
M  V30 95 C 7.7002 33.3421 0.0 0
M  V30 96 N 6.9302 32.0084 0.0 0
M  V30 97 O 9.2402 33.3421 0.0 0
M  V30 98 C 7.7002 30.6746 0.0 0 CFG=1
M  V30 99 C 6.9302 29.3410 0.0 0
M  V30 100 C 9.2402 30.6746 0.0 0
M  V30 101 N 7.7002 28.0074 0.0 0
M  V30 102 O 5.3902 29.3410 0.0 0
M  V30 103 C 10.0102 32.0084 0.0 0
M  V30 104 C 10.0102 29.3410 0.0 0
M  V30 105 C 6.9302 26.6737 0.0 0 CFG=1
M  V30 106 C 7.7002 25.3399 0.0 0
M  V30 107 C 5.3902 26.6737 0.0 0
M  V30 108 N 6.9302 24.0063 0.0 0
M  V30 109 O 9.2402 25.3399 0.0 0
M  V30 110 C 4.6202 25.3399 0.0 0
M  V30 111 C 7.7000 22.6727 0.0 0 CFG=1
M  V30 112 C 3.0802 25.3399 0.0 0
M  V30 113 C 6.9300 21.3390 0.0 0
M  V30 114 C 9.2400 22.6727 0.0 0
M  V30 115 N 2.3102 26.6737 0.0 0
M  V30 116 O 2.3102 24.0063 0.0 0
M  V30 117 N 7.7000 20.0052 0.0 0
M  V30 118 O 5.3900 21.3390 0.0 0
M  V30 119 C 10.0100 21.3390 0.0 0
M  V30 120 C 6.9300 18.6716 0.0 0 CFG=1
M  V30 121 C 11.5500 21.3390 0.0 0
M  V30 122 C 7.7000 17.3379 0.0 0
M  V30 123 C 5.3900 18.6716 0.0 0
M  V30 124 N 12.3200 22.6727 0.0 0
M  V30 125 N 6.9300 16.0043 0.0 0
M  V30 126 O 9.2400 17.3379 0.0 0
M  V30 127 C 4.6200 17.3379 0.0 0
M  V30 128 C 13.8600 22.6727 0.0 0
M  V30 129 C 7.7000 14.6705 0.0 0 CFG=1
M  V30 130 C 3.0800 17.3379 0.0 0
M  V30 131 N 14.6300 24.0063 0.0 0
M  V30 132 N 14.6302 21.3389 0.0 0
M  V30 133 C 6.9300 13.3369 0.0 0
M  V30 134 C 9.2400 14.6705 0.0 0
M  V30 135 C 2.3100 16.0043 0.0 0
M  V30 136 N 7.7000 12.0032 0.0 0
M  V30 137 O 5.3900 13.3369 0.0 0
M  V30 138 C 10.0100 13.3369 0.0 0
M  V30 139 N 0.7700 16.0043 0.0 0
M  V30 140 C 6.9300 10.6696 0.0 0 CFG=1
M  V30 141 C 11.5500 13.3369 0.0 0
M  V30 142 C 7.7000 9.3358 0.0 0
M  V30 143 C 5.3900 10.6696 0.0 0
M  V30 144 N 12.3200 14.6705 0.0 0
M  V30 145 N 9.2400 9.3358 0.0 0
M  V30 146 O 6.9300 8.0021 0.0 0
M  V30 147 C 4.6200 9.3358 0.0 0
M  V30 148 C 13.8600 14.6705 0.0 0
M  V30 149 C 10.0100 8.0021 0.0 0 CFG=1
M  V30 150 C 3.0800 9.3358 0.0 0
M  V30 151 N 14.6300 16.0041 0.0 0
M  V30 152 N 14.6300 13.3369 0.0 0
M  V30 153 C 11.5500 8.0021 0.0 0
M  V30 154 C 9.2400 6.6685 0.0 0
M  V30 155 N 2.3100 10.6696 0.0 0
M  V30 156 N 12.3200 6.6685 0.0 0
M  V30 157 O 12.3200 9.3358 0.0 0
M  V30 158 C 10.0100 5.3349 0.0 0
M  V30 159 C 0.7700 10.6696 0.0 0
M  V30 160 C 13.8600 6.6685 0.0 0 CFG=1
M  V30 161 C 9.2400 4.0011 0.0 0
M  V30 162 N 0.0000 12.0032 0.0 0
M  V30 163 N 0.0000 9.3358 0.0 0
M  V30 164 C 14.6300 5.3349 0.0 0
M  V30 165 C 14.6300 8.0021 0.0 0
M  V30 166 C 10.0100 2.6674 0.0 0
M  V30 167 N 16.1700 5.3347 0.0 0
M  V30 168 O 13.8600 4.0011 0.0 0
M  V30 169 N 9.2400 1.3338 0.0 0
M  V30 170 C 16.9400 4.0011 0.0 0 CFG=1
M  V30 171 C 18.4800 4.0011 0.0 0
M  V30 172 C 16.1700 2.6674 0.0 0
M  V30 173 O 19.2500 2.6674 0.0 0
M  V30 174 C 16.9400 1.3338 0.0 0
M  V30 175 C 18.4800 1.3338 0.0 0
M  V30 176 C 16.1700 0.0000 0.0 0
M  V30 177 C 21.8121 4.3513 0.0 0
M  V30 178 O 23.3184 4.6714 0.0 0
M  V30 179 O 21.3362 2.8867 0.0 0
M  V30 180 N 33.9016 30.6100 0.0 0
M  V30 181 C 32.3700 30.4490 0.0 0 CFG=2
M  V30 182 C 34.5279 29.2032 0.0 0
M  V30 183 C 32.0499 28.9428 0.0 0
M  V30 184 C 33.3835 28.1728 0.0 0
M  V30 185 N 7.5565 36.0827 0.0 0
M  V30 186 C 6.9302 34.6757 0.0 0 CFG=2
M  V30 187 C 6.4121 37.1131 0.0 0
M  V30 188 C 5.3986 34.8366 0.0 0
M  V30 189 C 5.0783 36.3431 0.0 0
M  V30 190 N 19.2500 5.3347 0.0 0
M  V30 191 C 20.7815 5.4958 0.0 0 CFG=2
M  V30 192 C 18.6237 6.7417 0.0 0
M  V30 193 C 21.1018 7.0021 0.0 0
M  V30 194 C 19.7681 7.7721 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 180
M  V30 4 1 2 4
M  V30 5 1 2 5 CFG=3
M  V30 6 1 4 6
M  V30 7 1 5 7
M  V30 8 1 6 8
M  V30 9 2 6 9
M  V30 10 1 7 10
M  V30 11 1 7 11
M  V30 12 1 8 12
M  V30 13 1 8 13 CFG=3
M  V30 14 1 12 14
M  V30 15 1 13 15
M  V30 16 1 14 16
M  V30 17 2 14 17
M  V30 18 1 15 18
M  V30 19 1 15 19
M  V30 20 1 16 20
M  V30 21 1 16 21 CFG=1
M  V30 22 1 20 22
M  V30 23 1 22 23
M  V30 24 2 22 24
M  V30 25 1 23 25
M  V30 26 1 23 26 CFG=1
M  V30 27 1 25 27
M  V30 28 1 26 28
M  V30 29 1 26 29
M  V30 30 1 27 30
M  V30 31 2 27 31
M  V30 32 1 30 32
M  V30 33 1 30 33 CFG=3
M  V30 34 1 32 34
M  V30 35 1 34 35
M  V30 36 2 34 36
M  V30 37 1 35 37
M  V30 38 1 35 38 CFG=1
M  V30 39 1 39 40
M  V30 40 2 39 41
M  V30 41 1 181 39 CFG=1
M  V30 42 1 40 42
M  V30 43 1 42 43
M  V30 44 1 42 44 CFG=3
M  V30 45 1 43 45
M  V30 46 2 43 46
M  V30 47 1 45 47
M  V30 48 1 47 48
M  V30 49 1 47 49 CFG=3
M  V30 50 1 48 50
M  V30 51 2 48 51
M  V30 52 1 49 52
M  V30 53 1 49 53
M  V30 54 1 50 54
M  V30 55 1 54 55
M  V30 56 1 54 56 CFG=1
M  V30 57 1 55 57
M  V30 58 2 55 58
M  V30 59 1 56 59
M  V30 60 1 57 60
M  V30 61 1 59 61
M  V30 62 1 59 62
M  V30 63 1 60 63
M  V30 64 1 60 64 CFG=1
M  V30 65 1 63 65
M  V30 66 2 63 66
M  V30 67 1 64 67
M  V30 68 1 65 68
M  V30 69 1 67 69
M  V30 70 1 67 70
M  V30 71 1 68 71
M  V30 72 1 68 72 CFG=1
M  V30 73 1 71 73
M  V30 74 2 71 74
M  V30 75 1 73 75
M  V30 76 1 75 76
M  V30 77 1 75 77 CFG=3
M  V30 78 1 76 78
M  V30 79 2 76 79
M  V30 80 1 77 80
M  V30 81 1 78 81
M  V30 82 1 80 82
M  V30 83 1 80 83
M  V30 84 1 81 84
M  V30 85 1 81 85 CFG=3
M  V30 86 1 84 86
M  V30 87 2 84 87
M  V30 88 1 85 88
M  V30 89 1 86 89
M  V30 90 1 88 90
M  V30 91 1 88 91
M  V30 92 1 89 92
M  V30 93 1 89 93 CFG=3
M  V30 94 2 92 94
M  V30 95 1 92 185
M  V30 96 1 95 96
M  V30 97 2 95 97
M  V30 98 1 186 95 CFG=3
M  V30 99 1 96 98
M  V30 100 1 98 99
M  V30 101 1 98 100 CFG=1
M  V30 102 1 99 101
M  V30 103 2 99 102
M  V30 104 1 100 103
M  V30 105 1 100 104
M  V30 106 1 101 105
M  V30 107 1 105 106
M  V30 108 1 105 107 CFG=3
M  V30 109 1 106 108
M  V30 110 2 106 109
M  V30 111 1 107 110
M  V30 112 1 108 111
M  V30 113 1 110 112
M  V30 114 1 111 113
M  V30 115 1 111 114 CFG=1
M  V30 116 1 112 115
M  V30 117 2 112 116
M  V30 118 1 113 117
M  V30 119 2 113 118
M  V30 120 1 114 119
M  V30 121 1 117 120
M  V30 122 1 119 121
M  V30 123 1 120 122
M  V30 124 1 120 123 CFG=3
M  V30 125 1 121 124
M  V30 126 1 122 125
M  V30 127 2 122 126
M  V30 128 1 123 127
M  V30 129 1 124 128
M  V30 130 1 125 129
M  V30 131 1 127 130
M  V30 132 2 128 131
M  V30 133 1 128 132
M  V30 134 1 129 133
M  V30 135 1 129 134 CFG=1
M  V30 136 1 130 135
M  V30 137 1 133 136
M  V30 138 2 133 137
M  V30 139 1 134 138
M  V30 140 1 135 139
M  V30 141 1 136 140
M  V30 142 1 138 141
M  V30 143 1 140 142
M  V30 144 1 140 143 CFG=3
M  V30 145 1 141 144
M  V30 146 1 142 145
M  V30 147 2 142 146
M  V30 148 1 143 147
M  V30 149 1 144 148
M  V30 150 1 145 149
M  V30 151 1 147 150
M  V30 152 2 148 151
M  V30 153 1 148 152
M  V30 154 1 149 153
M  V30 155 1 149 154 CFG=3
M  V30 156 1 150 155
M  V30 157 1 153 156
M  V30 158 2 153 157
M  V30 159 1 154 158
M  V30 160 1 155 159
M  V30 161 1 156 160
M  V30 162 1 158 161
M  V30 163 2 159 162
M  V30 164 1 159 163
M  V30 165 1 160 164
M  V30 166 1 160 165 CFG=1
M  V30 167 1 161 166
M  V30 168 1 164 167
M  V30 169 2 164 168
M  V30 170 1 166 169
M  V30 171 1 167 170
M  V30 172 1 170 171
M  V30 173 1 170 172 CFG=3
M  V30 174 2 171 173
M  V30 175 1 171 190
M  V30 176 1 172 174
M  V30 177 1 174 175
M  V30 178 1 174 176
M  V30 179 1 177 178
M  V30 180 2 177 179
M  V30 181 1 191 177 CFG=1
M  V30 182 1 180 181
M  V30 183 1 180 182
M  V30 184 1 181 183
M  V30 185 1 182 184
M  V30 186 1 183 184
M  V30 187 1 185 186
M  V30 188 1 185 187
M  V30 189 1 186 188
M  V30 190 1 187 189
M  V30 191 1 188 189
M  V30 192 1 190 191
M  V30 193 1 190 192
M  V30 194 1 191 193
M  V30 195 1 192 194
M  V30 196 1 193 194
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(26 2 8 16 23 30 35 42 47 54 60 68 75 81 89 98 105 111 120 129 140 149 160 170 181 186 191)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1071173-56-2

> <cas.index.name>
L-Proline, L-alanyl-L-alanyl-L-valyl-L-alanyl-L-leucyl-L-leucyl-L-prolyl-L-alanyl-L-valyl-L-leucyl-L-leucyl-L-alanyl-L-leucyl-L-leucyl-L-alanyl-L-prolyl-L-valyl-L-glutaminyl-L-arginyl-L-lysyl-L-arginyl-L-arginyl-L-lysyl-L-alanyl-L-leucyl-

> <molecular.formula>
C128H230N38O28

> <molecular.weight>
2749.44

> <density.predicted>
1.37±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

$$$$
