Mrv2104 03092312432D 100102 0 0 1 0 999 V2000 9.4045 8.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6027 9.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3953 9.8311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5935 10.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3943 10.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7926 10.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7916 11.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5843 11.6617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7824 12.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1880 13.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3953 12.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8008 13.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0082 13.1489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9990 14.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5751 12.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7732 13.4922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5659 13.7210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1603 13.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9530 13.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1511 14.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5474 12.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7640 14.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5567 14.7506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7548 15.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5557 15.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9540 15.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9530 16.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7456 16.5811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0264 17.3569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5638 18.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9242 18.7822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4616 19.4653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6387 19.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8219 20.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3594 20.8906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7197 21.6327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2572 22.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6175 23.0580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1550 23.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8381 24.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4718 23.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6924 24.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0527 25.1664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6641 25.8942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8470 26.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5365 26.7719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0433 27.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6943 26.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 27.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5057 28.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5501 28.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2397 28.8383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7464 29.4893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4360 30.2537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9428 30.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6188 30.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3084 31.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5636 29.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8740 28.6116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6912 28.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5778 27.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8045 29.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5084 28.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8188 27.6205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6196 27.4223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2507 27.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1059 28.7660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7370 29.2974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5923 30.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2233 30.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0786 31.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9991 30.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5127 29.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1438 29.5480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0264 27.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6786 26.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9143 26.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3828 26.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0151 29.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0703 30.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3672 27.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3402 25.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2362 26.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9783 26.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8650 25.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8695 24.3653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4343 22.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5426 21.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9030 22.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0052 21.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6448 20.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7409 17.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8509 17.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0797 16.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3966 16.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3585 16.9244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1695 15.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1695 12.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1972 12.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0082 10.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 9 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 29 28 1 0 0 0 0 29 30 1 6 0 0 0 30 31 1 0 0 0 0 32 31 1 0 0 0 0 32 33 1 6 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 36 35 1 6 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 42 43 1 0 0 0 0 44 43 1 0 0 0 0 44 45 1 6 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 47 51 1 0 0 0 0 51 52 1 0 0 0 0 53 52 1 1 0 0 0 53 54 1 0 0 0 0 54 55 1 6 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 53 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 60 63 1 0 0 0 0 63 64 1 0 0 0 0 65 64 1 0 0 0 0 65 66 1 6 0 0 0 66 67 1 0 0 0 0 68 67 1 6 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 68 73 1 0 0 0 0 73 74 1 0 0 0 0 66 75 2 0 0 0 0 65 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 64 78 1 0 0 0 0 63 79 2 0 0 0 0 58 80 2 0 0 0 0 51 81 2 0 0 0 0 45 82 2 0 0 0 0 44 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 43 85 1 0 0 0 0 42 86 2 0 0 0 0 37 87 2 0 0 0 0 36 88 1 0 0 0 0 88 89 1 0 0 0 0 88 90 1 0 0 0 0 34 91 2 0 0 0 0 30 92 2 0 0 0 0 29 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 28 95 1 0 0 0 0 27 96 2 0 0 0 0 22 97 2 0 0 0 0 15 98 2 0 0 0 0 7 99 2 0 0 0 0 2100 2 0 0 0 0 M END > NP0333496 > NP-MRD > CC[C@H](C)[C@H](NC(=O)C(C)(CC)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(N)=O)NC(=O)C(C)(C)NC(C)=O)C(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CC(C)C > InChI=1S/C69H119N15O16/c1-21-40(9)51(59(95)80-68(18,19)63(99)83-32-24-27-47(83)56(92)72-43(36-85)34-37(3)4)76-61(97)69(20,22-2)81-57(93)48-28-25-33-84(48)64(100)67(16,17)79-58(94)50(39(7)8)75-52(88)41(10)71-55(91)46-26-23-31-82(46)62(98)66(14,15)78-54(90)45(35-38(5)6)73-53(89)44(29-30-49(70)87)74-60(96)65(12,13)77-42(11)86/h37-41,43-48,50-51,85H,21-36H2,1-20H3,(H2,70,87)(H,71,91)(H,72,92)(H,73,89)(H,74,96)(H,75,88)(H,76,97)(H,77,86)(H,78,90)(H,79,94)(H,80,95)(H,81,93)/t40-,41+,43+,44+,45-,46-,47-,48-,50-,51-,69?/m0/s1 > HOFMPSIIXBIFDE-WZSKTQSFSA-N > C69H119N15O16 > 1414.8 > 1413.895922812 > 16 > 219 > 152.22249517828175 > 0 > 13 > 0 > 0 > (2R)-2-(2-acetamido-2-methylpropanamido)-N-[(1S)-1-({1-[(2S)-2-{[(1R)-1-{[(1S)-1-({1-[(2S)-2-[(1-{[(1S,2S)-1-({1-[(2S)-2-{[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-2-methylbutyl]carbamoyl}-1-methylpropyl)carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-2-methylpropyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]pentanediamide > -0.9828515553333359 > 1 > 3 > 0 > 11.805238293960908 > 11.442702613768084 > 444.3499999999999 > 368.6497000000001 > 36 > 0 > (2R)-2-(2-acetamido-2-methylpropanamido)-N-[(1S)-1-({1-[(2S)-2-{[(1R)-1-{[(1S)-1-({1-[(2S)-2-[(1-{[(1S,2S)-1-({1-[(2S)-2-{[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-2-methylbutyl]carbamoyl}-1-methylpropyl)carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-2-methylpropyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]pentanediamide > 0 > NP0333496 > Trichoguizaibol D $$$$