CDK 1030232202 115120 0 0 0 0 0 0 0 0999 V2000 22.8631 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.2920 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8631 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.0065 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1486 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7209 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4342 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.7209 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7209 3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8631 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7196 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4342 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7209 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7209 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2348 -2.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9022 -1.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 5.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5763 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0418 -2.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6828 -3.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4543 -1.9275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8617 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5763 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2968 -3.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9377 -3.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8617 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5763 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7447 -4.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8617 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2894 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2894 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5750 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5177 2.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1852 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3248 2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9657 2.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7373 1.5150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5797 3.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2207 3.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2881 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0277 3.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 1 0 0 0 4 6 1 6 0 0 0 7 4 1 0 0 0 0 5 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 6 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 1 0 0 0 10 17 2 0 0 0 0 18 10 1 0 0 0 0 11 19 1 0 0 0 0 20 14 1 0 0 0 0 15 21 1 0 0 0 0 18 22 1 6 0 0 0 18 23 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 1 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 25 30 1 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 28 34 2 0 0 0 0 35 28 1 0 0 0 0 29 36 1 0 0 0 0 29 37 2 0 0 0 0 30 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 2 0 0 0 0 33 41 1 0 0 0 0 35 42 1 6 0 0 0 35 43 1 0 0 0 0 36 44 2 0 0 0 0 36 45 1 0 0 0 0 37 46 1 0 0 0 0 38 47 2 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 45 51 2 0 0 0 0 48 52 2 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 2 0 0 0 0 53 56 1 0 0 0 0 54 57 1 0 0 0 0 56 58 1 0 0 0 0 58 59 2 0 0 0 0 60 58 1 0 0 0 0 60 61 1 1 0 0 0 60 62 1 0 0 0 0 61 63 1 0 0 0 0 62 64 1 0 0 0 0 63 65 2 0 0 0 0 66 63 1 0 0 0 0 64 67 1 0 0 0 0 66 68 1 1 0 0 0 66 69 1 0 0 0 0 67 70 1 0 0 0 0 68 71 1 0 0 0 0 69 72 1 0 0 0 0 71 73 2 0 0 0 0 74 71 1 0 0 0 0 72 75 1 0 0 0 0 74 76 1 6 0 0 0 74 77 1 0 0 0 0 75 78 1 0 0 0 0 76 79 1 0 0 0 0 77 80 1 0 0 0 0 79 81 2 0 0 0 0 82 79 1 0 0 0 0 80 83 1 0 0 0 0 80 84 2 0 0 0 0 82 85 1 1 0 0 0 82 86 1 0 0 0 0 83 87 2 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 2 0 0 0 0 90 94 2 0 0 0 0 95 90 1 0 0 0 0 91 96 2 0 0 0 0 91 97 1 0 0 0 0 92 98 2 0 0 0 0 95 99 1 6 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 2 0 0 0 0 99103 1 0 0 0 0 100104 1 0 0 0 0 101105 2 0 0 0 0 103106 2 0 0 0 0 103107 1 0 0 0 0 105108 1 0 0 0 0 107109 1 0 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 113115 1 0 0 0 0 38 39 1 0 0 0 0 44 46 1 0 0 0 0 51 55 1 0 0 0 0 87 89 1 0 0 0 0 93 98 1 0 0 0 0 102105 1 0 0 0 0 M END > CHEBI:219296 > Laterocidine > 2 > N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2S)-5-amino-1-[[2-[[(2R)-5-amino-1-[[(2S)-1-[[(9S,12S,15S,16R)-9-(2-amino-2-oxoethyl)-12-[(2S)-butan-2-yl]-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-7-methyloctanamide > C78H113N19O18 > 1604.877 > 1603.85110 > 0 > O=C1N[C@H](C(=O)N[C@H](C(=O)NCC(NCC(O[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CCCCCC(C)C)CO)CC2=CC=C(O)C=C2)CC=3C4=C(C=CC=C4)NC3)CCCN)CCCN)CCCN)CC=5C6=C(C=CC=C6)NC5)C)=O)=O)CC(=O)N)[C@H](CC)C > InChI=1S/C78H113N19O18/c1-6-44(4)67-77(113)95-60(36-62(82)100)70(106)86-39-64(102)85-41-66(104)115-45(5)68(78(114)96-67)97-75(111)59(35-48-38-84-53-21-13-11-19-51(48)53)93-71(107)55(23-15-31-80)88-65(103)40-87-69(105)54(22-14-30-79)90-72(108)56(24-16-32-81)91-74(110)58(34-47-37-83-52-20-12-10-18-50(47)52)94-73(109)57(33-46-26-28-49(99)29-27-46)92-76(112)61(42-98)89-63(101)25-9-7-8-17-43(2)3/h10-13,18-21,26-29,37-38,43-45,54-61,67-68,83-84,98-99H,6-9,14-17,22-25,30-36,39-42,79-81H2,1-5H3,(H2,82,100)(H,85,102)(H,86,106)(H,87,105)(H,88,103)(H,89,101)(H,90,108)(H,91,110)(H,92,112)(H,93,107)(H,94,109)(H,95,113)(H,96,114)(H,97,111)/t44-,45+,54-,55+,56+,57+,58+,59-,60-,61+,67-,68-/m0/s1 > MIUUXMLKAKRFMK-PCBFYWCHSA-N $$$$