71750373 -OEChem-03192406262D 85 85 0 1 0 0 0 0 0999 V2000 8.0191 -0.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3992 1.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 -0.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6240 0.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7112 2.6043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0382 2.1560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0191 0.8111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0191 0.8111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7262 1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6921 1.2594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0191 -0.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3461 1.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9510 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 1.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9169 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1757 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 2.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1416 -1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3652 1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0723 2.4148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4004 -2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8135 3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3664 -2.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8475 3.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6252 -3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5887 4.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1404 2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5911 -3.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7453 2.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8499 -4.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4463 0.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5919 0.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9882 2.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2183 1.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8199 1.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 2.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5317 1.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 0.9038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6081 0.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 0.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8969 -0.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1468 2.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3769 2.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5345 0.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9709 0.6523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 1.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 1.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5581 -0.9853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1217 -1.5489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5648 2.5753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7593 -1.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1957 -0.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2327 1.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7828 -2.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3464 -2.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4311 3.4348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8675 3.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 2.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 1.9955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 1.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8236 3.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 3.9796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6259 3.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9840 -2.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4204 -1.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2487 3.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0075 -3.4348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5711 -3.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1987 1.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1876 4.7660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4282 5.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9898 4.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7020 3.3709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7020 2.4940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5788 2.4940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2088 -3.5855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6451 -3.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5848 3.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2511 -4.7660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0104 -5.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4488 -4.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 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 33 2 0 0 0 0 22 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 10 1 1 0 0 0 7 12 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 6 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 13 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 14 1 0 0 0 0 11 41 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 20 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 54 1 0 0 0 0 20 23 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 22 57 1 0 0 0 0 23 27 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 28 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 29 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 28 70 1 0 0 0 0 29 32 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 74 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 34 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 34 83 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 M END > 71750373 > 1 > 577 > 5 > 1 > 21 > AAADcfB6OAAAAAAAAAAAAAAAAABIAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADTzhgAYCCALABAAIAACQmAAAAAAAAAAAAIGIAAACABYAgCAHAAAFNgAQAAGI7OzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(1S)-1-[[(2S,3S)-3-(5-methylhexyl)-4-oxo-oxetan-2-yl]methyl]decyl] (2S)-2-formamido-4-methyl-pentanoate > (2S)-2-formamido-4-methylpentanoic acid [(2S)-1-[(2S,3S)-3-(5-methylhexyl)-4-oxo-2-oxetanyl]undecan-2-yl] ester > [(2S)-1-[(2S,3S)-3-(5-methylhexyl)-4-oxooxetan-2-yl]undecan-2-yl] (2S)-2-formamido-4-methylpentanoate > [(2S)-1-[(2S,3S)-3-(5-methylhexyl)-4-oxooxetan-2-yl]undecan-2-yl] (2S)-2-formamido-4-methylpentanoate > [(2S)-1-[(2S,3S)-3-(5-methylhexyl)-4-oxidanylidene-oxetan-2-yl]undecan-2-yl] (2S)-2-formamido-4-methyl-pentanoate > (2S)-2-formamido-4-methyl-valeric acid [(1S)-1-[[(2S,3S)-4-keto-3-(5-methylhexyl)oxetan-2-yl]methyl]decyl] ester > InChI=1S/C28H51NO5/c1-6-7-8-9-10-11-12-16-23(33-28(32)25(29-20-30)18-22(4)5)19-26-24(27(31)34-26)17-14-13-15-21(2)3/h20-26H,6-19H2,1-5H3,(H,29,30)/t23-,24-,25-,26-/m0/s1 > OEUAXSAKXHBBLW-CQJMVLFOSA-N > 9.1 > 481.37672373 > C28H51NO5 > 481.7 > CCCCCCCCCC(CC1C(C(=O)O1)CCCCC(C)C)OC(=O)C(CC(C)C)NC=O > CCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCC(C)C)OC(=O)[C@H](CC(C)C)NC=O > 81.7 > 481.37672373 > 0 > 34 > 4 > 0 > 0 > 0 > 0 > 1 > 4 > 1 5 255 > 11 2 5 22 6 6 7 10 5 8 9 6 $$$$