Ketcher 06282319112D 1 1.00000 0.00000 0 143147 0 1 0 999 V2000 8.9321 4.0864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8041 6.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0101 -0.3505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6235 -4.0527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1130 -4.6698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1199 7.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6281 -1.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3351 -2.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6480 -7.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7575 4.2740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1872 5.2350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1190 1.1117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3117 -2.2444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5785 -3.6633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5336 -4.0527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1838 5.7682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9549 -0.1027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6000 -5.0374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0538 6.1614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6909 -6.7403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2194 1.5398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6397 -6.4544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 1.1579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8519 3.1446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7977 4.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3666 2.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3127 6.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3594 4.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3994 4.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2196 2.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2304 3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6097 -1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1032 6.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9267 3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9699 5.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7904 2.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3725 -3.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9011 -3.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2930 1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2020 -0.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5086 7.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5288 -1.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0381 1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8453 -2.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2560 -3.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0441 -4.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2861 5.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3160 6.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3831 -5.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7845 -3.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8443 6.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7985 -6.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 2.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5474 -1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7505 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4734 -3.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4310 -7.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8933 8.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8950 -5.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5082 7.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8465 -8.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0855 9.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8929 9.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4989 -3.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3926 -3.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0994 -5.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4790 -9.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2326 -6.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4434 -4.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3372 -4.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7692 -7.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3627 -5.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0724 1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4495 -6.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0783 5.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7087 1.9336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0467 6.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2668 6.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0352 5.5881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1162 4.5106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9231 3.6886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5920 3.3677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6377 3.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9843 3.4187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6137 2.9492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2813 4.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4310 -1.9831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5256 2.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0792 2.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2899 5.9827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3659 1.1632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7864 -4.1287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6449 -3.1408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9206 1.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8749 1.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3033 -1.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7804 -1.9069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7001 0.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2850 1.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7600 -2.7594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0323 -2.9755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2938 -1.7292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3637 -4.3431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6042 -5.2831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4376 4.5294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7752 -5.7100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5785 -4.4180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2094 -5.6610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2316 -6.6311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1712 -4.7147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5281 5.3945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5184 2.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5642 2.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6940 -0.2564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0201 -7.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9981 -6.6748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6327 8.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7688 7.7303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2575 -7.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2796 -8.7389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9624 -4.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3240 9.9970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3921 9.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1689 -3.3347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7568 -3.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3544 6.8537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5029 5.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0145 -7.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4498 -4.6950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8342 -9.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8712 -9.9258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1239 -8.8888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 -5.3047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 -5.1493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8787 -8.0521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3282 -6.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4668 -6.8044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2041 -6.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4323 -5.2952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4347 1.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2825 0.4157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1407 3.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4263 3.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 2 0 0 0 2 35 2 0 0 0 3 40 2 0 0 0 4 45 2 0 0 0 5 50 2 0 0 0 6 51 2 0 0 0 7 54 2 0 0 0 8 55 2 0 0 0 9 68 2 0 0 0 10 25 1 0 0 0 10 34 1 0 0 0 10 86 1 0 0 0 11 28 1 0 0 0 11 35 1 0 0 0 11 90 1 0 0 0 12 26 1 0 0 0 12 40 1 0 0 0 12 91 1 0 0 0 13 32 1 0 0 0 13 45 1 0 0 0 13100 1 0 0 0 14 37 1 0 0 0 14 50 1 0 0 0 14107 1 0 0 0 38 15 1 6 0 0 15 55 1 0 0 0 15110 1 0 0 0 16 47 1 0 0 0 16 48 1 0 0 0 16111 1 0 0 0 17 43 1 0 0 0 17 54 1 0 0 0 17114 1 0 0 0 49 18 1 1 0 0 18 68 1 0 0 0 18121 1 0 0 0 19 51 1 0 0 0 19126 1 0 0 0 19127 1 0 0 0 20 59 1 0 0 0 20 71 1 0 0 0 20128 1 0 0 0 21 53 1 0 0 0 21 73 2 0 0 0 22 66 1 0 0 0 22 71 2 0 0 0 23 73 1 0 0 0 23140 1 0 0 0 23141 1 0 0 0 24 73 1 0 0 0 24142 1 0 0 0 24143 1 0 0 0 25 27 1 1 0 0 25 35 1 0 0 0 25 75 1 0 0 0 26 30 1 1 0 0 26 34 1 0 0 0 26 76 1 0 0 0 27 33 1 0 0 0 27 77 1 0 0 0 27 78 1 0 0 0 28 29 1 0 0 0 28 51 1 6 0 0 28 79 1 0 0 0 29 31 1 0 0 0 29 80 1 0 0 0 29 81 1 0 0 0 30 39 1 0 0 0 30 82 1 0 0 0 30 83 1 0 0 0 31 36 1 0 0 0 31 84 1 0 0 0 31 85 1 0 0 0 32 40 1 0 0 0 32 42 1 6 0 0 32 87 1 0 0 0 33 41 1 0 0 0 33 47 2 0 0 0 36 43 1 0 0 0 36 88 1 0 0 0 36 89 1 0 0 0 37 45 1 0 0 0 37 46 1 1 0 0 37 92 1 0 0 0 38 44 1 0 0 0 38 50 1 0 0 0 38 93 1 0 0 0 39 53 1 0 0 0 39 94 1 0 0 0 39 95 1 0 0 0 41 48 1 0 0 0 41 58 2 0 0 0 42 56 1 0 0 0 42 96 1 0 0 0 42 97 1 0 0 0 43 98 1 0 0 0 43 99 1 0 0 0 44 54 1 0 0 0 44101 1 0 0 0 44102 1 0 0 0 46 59 1 0 0 0 46103 1 0 0 0 46104 1 0 0 0 47105 1 0 0 0 48 60 2 0 0 0 49 52 1 0 0 0 49 55 1 0 0 0 49106 1 0 0 0 52 57 1 0 0 0 52108 1 0 0 0 52109 1 0 0 0 53112 1 0 0 0 53113 1 0 0 0 56 64 2 0 0 0 56 65 1 0 0 0 57 61 1 0 0 0 57115 1 0 0 0 57116 1 0 0 0 58 62 1 0 0 0 58117 1 0 0 0 59 66 2 0 0 0 60 63 1 0 0 0 60118 1 0 0 0 61 67 1 0 0 0 61119 1 0 0 0 61120 1 0 0 0 62 63 2 0 0 0 62122 1 0 0 0 63123 1 0 0 0 64 69 1 0 0 0 64124 1 0 0 0 65 70 2 0 0 0 65125 1 0 0 0 66129 1 0 0 0 67130 1 0 0 0 67131 1 0 0 0 67132 1 0 0 0 68 74 1 0 0 0 69 72 2 0 0 0 69133 1 0 0 0 70 72 1 0 0 0 70134 1 0 0 0 71135 1 0 0 0 72136 1 0 0 0 74137 1 0 0 0 74138 1 0 0 0 74139 1 0 0 0 M END > CHEBI:195326 > Melanotan II > 2 > MT-II; Melanotan-II > C50H69N15O9 > 1024.198 > 1023.54027 > 0 > O=C1N([C@@](C(C=2C=3C(N(C2[H])[H])=C(C(=C(C3[H])[H])[H])[H])([H])[H])(C(=O)N([C@@](C(C(C(C(N(C(=O)C([C@](N(C(=O)[C@@](N(C(=O)C([H])([H])[H])[H])(C(C(C(C([H])([H])[H])([H])[H])([H])[H])([H])[H])[H])[H])(C(=O)N([C@](C(=O)N([C@@](C(=O)N([C@]1(C(C(C(N=C(N([H])[H])N([H])[H])([H])[H])([H])[H])([H])[H])[H])[H])(C(C4=C(C(=C(C(=C4[H])[H])[H])[H])[H])([H])[H])[H])[H])(C(C=5N(C(=NC5[H])[H])[H])([H])[H])[H])[H])[H])([H])[H])[H])([H])[H])([H])[H])([H])[H])([H])[H])(C(=O)N([H])[H])[H])[H])[H])[H] > InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 > JDKLPDJLXHXHNV-MFVUMRCOSA-N > 121062-08-6 $$$$