Mrv2104 03092313022D 101103 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 9.5638 11.6228 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 2 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 14.9428 30.9047 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 6 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 18 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 30 29 1 0 0 0 0 30 31 1 6 0 0 0 31 32 1 0 0 0 0 33 32 1 0 0 0 0 33 34 1 6 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 37 36 1 6 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 43 44 1 0 0 0 0 45 44 1 0 0 0 0 45 46 1 6 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 48 52 1 0 0 0 0 52 53 1 0 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 55 58 1 6 0 0 0 54 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 61 64 1 0 0 0 0 64 65 1 0 0 0 0 66 65 1 0 0 0 0 66 67 1 6 0 0 0 67 68 1 0 0 0 0 69 68 1 6 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 67 76 2 0 0 0 0 66 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 65 79 1 0 0 0 0 64 80 2 0 0 0 0 59 81 2 0 0 0 0 52 82 2 0 0 0 0 46 83 2 0 0 0 0 45 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 44 86 1 0 0 0 0 43 87 2 0 0 0 0 38 88 2 0 0 0 0 37 89 1 0 0 0 0 89 90 1 0 0 0 0 89 91 1 0 0 0 0 35 92 2 0 0 0 0 31 93 2 0 0 0 0 30 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 29 96 1 0 0 0 0 28 97 2 0 0 0 0 23 98 2 0 0 0 0 16 99 2 0 0 0 0 8100 2 0 0 0 0 2101 2 0 0 0 0 M END > NP0333500 > 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)(CC)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/C70H121N15O16/c1-21-41(10)52(60(96)81-68(17,18)64(100)84-33-25-28-48(84)57(93)73-44(37-86)35-38(4)5)77-62(98)70(20,23-3)82-58(94)49-29-26-34-85(49)65(101)67(15,16)80-59(95)51(40(8)9)76-53(89)42(11)72-56(92)47-27-24-32-83(47)63(99)66(13,14)79-55(91)46(36-39(6)7)74-54(90)45(30-31-50(71)88)75-61(97)69(19,22-2)78-43(12)87/h38-42,44-49,51-52,86H,21-37H2,1-20H3,(H2,71,88)(H,72,92)(H,73,93)(H,74,90)(H,75,97)(H,76,89)(H,77,98)(H,78,87)(H,79,91)(H,80,95)(H,81,96)(H,82,94)/t41-,42+,44+,45+,46-,47-,48-,49-,51-,52-,69?,70?/m0/s1 > VWDSRIBKRFESCZ-JSBVKTFXSA-N > C70H121N15O16 > 1428.827 > 1427.911572876 > 16 > 222 > 153.4627655623375 > 0 > 13 > 0 > 0 > (2R)-2-(2-acetamido-2-methylbutanamido)-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 > -0.4603291603333321 > 1 > 3 > 0 > 11.791596560950556 > 11.439547695741421 > 444.3499999999999 > 373.1737000000001 > 37 > 0 > (2R)-2-(2-acetamido-2-methylbutanamido)-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 > NP0333500 > Trichoguizaibol H $$$$