71462485 -OEChem-05112403392D 88 88 0 1 0 0 0 0 0999 V2000 8.0191 0.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3992 2.3548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 -0.5077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6240 1.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7112 2.9925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0382 2.5442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0191 1.1994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0191 1.1994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7262 1.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 1.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6921 1.6476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0191 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9510 0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3461 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9169 0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 2.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1757 -0.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1416 -0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 2.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0723 2.8030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3652 2.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4004 -1.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8135 3.7690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3664 -2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 2.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6252 -2.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5206 4.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8475 4.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5911 -3.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8499 -4.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2617 5.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8159 -4.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7453 3.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0747 -5.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5919 0.9621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4463 0.9621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9882 2.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2183 2.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8199 2.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 2.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5317 2.2465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 0.6277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8969 0.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 1.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6081 1.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5345 0.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9709 1.0405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1468 2.7104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3769 2.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5581 -0.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1217 -1.1607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7593 -0.7478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1957 -0.1842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 1.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 1.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2327 2.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7828 -1.8218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3464 -2.3854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6530 4.3678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9840 -1.9726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4204 -1.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4738 3.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 3.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0075 -3.0466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5711 -3.6102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8762 3.9682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0825 4.7381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0080 4.6267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2487 4.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6871 3.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1987 1.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2088 -3.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6451 -2.6337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 3.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 2.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 1.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2323 -4.2713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7959 -4.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8606 5.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1013 6.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6629 5.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4335 -4.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8699 -3.8584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5848 3.8502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4758 -5.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2351 -6.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6735 -5.2815 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 21 1 0 0 0 0 3 12 2 0 0 0 0 4 21 2 0 0 0 0 5 34 2 0 0 0 0 20 6 1 1 0 0 0 6 34 1 0 0 0 0 6 72 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 6 0 0 0 7 36 1 0 0 0 0 8 10 1 1 0 0 0 8 12 1 0 0 0 0 8 37 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 14 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 13 1 0 0 0 0 11 42 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 19 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 22 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 25 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 57 1 0 0 0 0 22 24 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 1 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 30 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 29 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 32 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 31 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 33 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 33 35 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 85 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 M END > 71462485 > 1 > 581 > 5 > 1 > 23 > AAADcfB6OAAAAAAAAAAAAAAAAABIAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADTzhgAYCCALABAAIAACQmAAAAAAAAAAAAIGIAAACABYAgCAHAAAFNgAQAAGI7OzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] (2R,3S)-2-formamido-3-methyl-pentanoate > (2R,3S)-2-formamido-3-methylpentanoic 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] (2R,3S)-2-formamido-3-methylpentanoate > [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2R,3S)-2-formamido-3-methylpentanoate > [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] (2R,3S)-2-formamido-3-methyl-pentanoate > (2R,3S)-2-formamido-3-methyl-valeric acid [(1S)-1-[[(2S,3S)-3-hexyl-4-keto-oxetan-2-yl]methyl]dodecyl] ester > InChI=1S/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t23-,24-,25-,26-,27+/m0/s1 > CBHKWVNFZKJLIS-JSLVBRCRSA-N > 10 > 495.39237379 > C29H53NO5 > 495.7 > CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(C(C)CC)NC=O > CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@@H]([C@@H](C)CC)NC=O > 81.7 > 495.39237379 > 0 > 35 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 2 5 23 28 5 20 6 5 7 9 6 8 10 5 $$$$