3034010 -OEChem-04272400322D 88 88 0 1 0 0 0 0 0999 V2000 8.0191 0.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3992 2.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 -0.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6240 1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7112 3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0382 2.7684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0191 1.4235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0191 1.4235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7262 2.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 2.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6921 1.8718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0191 0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9510 0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3461 1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9169 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 2.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1757 -0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1416 -0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 2.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4004 -1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3652 2.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0723 3.0272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3664 -1.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 3.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8135 3.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6252 -2.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8475 4.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5911 -3.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8499 -3.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5887 5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1404 3.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8159 -4.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7453 3.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0747 -5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5919 1.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4463 1.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9882 2.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2183 2.4862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8199 2.4862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 2.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5317 2.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 0.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8969 0.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 1.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6081 1.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5345 0.7011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9709 1.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1468 2.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3769 3.1408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5581 -0.3729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1217 -0.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7593 -0.5237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1957 0.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 1.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 1.7582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7828 -1.5977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3464 -2.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2327 2.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9840 -1.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4204 -1.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4738 3.3828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 3.5891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4311 4.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8675 4.6108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0075 -2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5711 -3.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2487 4.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2088 -2.9732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6451 -2.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 3.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 2.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 2.1695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1987 2.1695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2323 -4.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7959 -4.6108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1876 5.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4282 5.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9898 5.0574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7020 3.9832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7020 3.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5788 3.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4335 -4.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8699 -3.6343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5848 4.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4758 -5.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2351 -5.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6735 -5.0574 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 22 6 1 6 0 0 0 6 34 1 0 0 0 0 6 74 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 20 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 24 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 23 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 22 25 1 0 0 0 0 22 59 1 0 0 0 0 23 26 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 29 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 27 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 28 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 31 1 0 0 0 0 27 32 1 0 0 0 0 27 68 1 0 0 0 0 28 30 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 33 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 77 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 > 3034010 > 1 > 579 > 5 > 1 > 23 > AAADcfB6OAAAAAAAAAAAAAAAAABIAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADTzhgAYCCALABAAIAACQmAAAAAAAAAAAAIGIAAACABYAgCAHAAAFNgAQAAGI7OzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] (2S)-2-formamido-4-methyl-pentanoate > (2S)-2-formamido-4-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] (2S)-2-formamido-4-methylpentanoate > [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate > [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methyl-pentanoate > (2S)-2-formamido-4-methyl-valeric acid [(1S)-1-[[(2S,3S)-3-hexyl-4-keto-oxetan-2-yl]methyl]dodecyl] ester > InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1 > AHLBNYSZXLDEJQ-FWEHEUNISA-N > 10 > 495.39237379 > C29H53NO5 > 495.7 > CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O > CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O > 81.7 > 495.39237379 > 0 > 35 > 4 > 0 > 0 > 0 > 0 > 1 > 4 > 1 5 255 > 11 2 5 22 6 6 7 9 6 8 10 5 $$$$