71458949 -OEChem-05082413492D 82 82 0 1 0 0 0 0 0999 V2000 8.0191 0.6823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3992 2.8377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 -0.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6240 1.6130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7112 3.4755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0382 3.0272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0191 1.6823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0191 1.6823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7262 2.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 2.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6921 2.1306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0191 0.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9510 1.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3461 2.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9169 0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 2.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1757 -0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1416 -0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 2.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4004 -1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3664 -1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3652 2.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 3.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6252 -2.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0723 3.2860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5911 -2.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8135 4.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8499 -3.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8159 -3.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5206 4.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0747 -4.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7453 3.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5919 1.4451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4463 1.4451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9882 2.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2183 2.7450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8199 2.7450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 2.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5317 2.7295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 1.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8969 0.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6081 1.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5345 0.9599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9709 1.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1468 3.1933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3769 3.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5581 -0.1141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1217 -0.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7593 -0.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1957 0.2988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 2.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 2.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7828 -1.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3464 -1.9024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9840 -1.4896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4204 -0.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4738 3.6416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 3.8479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0075 -2.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5711 -3.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2327 2.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2088 -2.7143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6451 -2.1507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 3.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 2.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 2.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4578 4.7598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2515 3.9899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2323 -3.7883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7959 -4.3519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1987 2.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4335 -3.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8699 -3.3755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9590 4.5206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9590 5.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0822 5.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4758 -5.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2351 -5.5579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6735 -4.7986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5848 4.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 11 2 1 1 0 0 0 2 22 1 0 0 0 0 3 12 2 0 0 0 0 4 22 2 0 0 0 0 5 33 2 0 0 0 0 25 6 1 6 0 0 0 6 33 1 0 0 0 0 6 73 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 6 0 0 0 7 34 1 0 0 0 0 8 10 1 1 0 0 0 8 12 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 14 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 19 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 20 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 23 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 24 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 25 1 0 0 0 0 23 27 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 26 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 28 1 0 0 0 0 25 63 1 0 0 0 0 26 29 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 31 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 30 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 32 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 82 1 0 0 0 0 M END > 71458949 > 1 > 539 > 5 > 1 > 22 > AAADcfB6OAAAAAAAAAAAAAAAAABIAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADTzhgAYCCALABAAIAACQmAAAAAAAAAAAAIGIAAACABYAACAHAAAFNgAQAAGI7OzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] (2S)-2-formamidobutanoate > (2S)-2-formamidobutanoic acid [(2S)-1-[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]tridecan-2-yl] ester > [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamidobutanoate > [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamidobutanoate > [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] (2S)-2-formamidobutanoate > (2S)-2-formamidobutyric acid [(1S)-1-[[(2S,3S)-3-hexyl-4-keto-oxetan-2-yl]methyl]dodecyl] ester > InChI=1S/C27H49NO5/c1-4-7-9-11-12-13-14-15-16-18-22(32-27(31)24(6-3)28-21-29)20-25-23(26(30)33-25)19-17-10-8-5-2/h21-25H,4-20H2,1-3H3,(H,28,29)/t22-,23-,24-,25-/m0/s1 > BVSOZFRPCXSKKE-QORCZRPOSA-N > 9.2 > 467.36107366 > C27H49NO5 > 467.7 > CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC)NC=O > CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC)NC=O > 81.7 > 467.36107366 > 0 > 33 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 2 5 25 6 6 7 9 6 8 10 5 $$$$