71749577 -OEChem-05102411482D 91 91 0 1 0 0 0 0 0999 V2000 6.3461 1.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7262 3.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 0.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9510 1.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0382 3.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3652 3.3807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3461 2.0359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3461 2.0359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6390 2.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0532 2.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 2.4842 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0191 2.4842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3461 1.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2779 1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 3.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2438 1.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5027 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4686 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7274 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6921 2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3992 3.6396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6933 -1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1404 4.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9522 -2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9181 -2.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1745 4.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1769 -3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1428 -3.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9157 5.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4674 4.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4016 -4.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3676 -4.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0723 4.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6264 -5.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7733 1.7986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9189 1.7986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1468 3.0986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3769 3.3049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3152 3.3049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5453 3.0986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0742 2.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6180 2.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6603 1.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2239 0.9006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4738 3.5469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 3.7532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8615 1.3135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2979 1.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8153 1.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2538 0.9194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0131 1.3578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8850 0.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4486 -0.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0862 0.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5226 0.6523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 3.5313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 2.7720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 2.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1098 -0.9853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6734 -1.5489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8376 4.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3110 -1.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7474 -0.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7581 4.6595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1945 5.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3345 -2.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8981 -2.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5357 -2.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9721 -1.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5756 5.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5593 -3.4348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1229 -3.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5256 2.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7605 -3.5855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1969 -3.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5146 5.9907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7552 6.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3168 5.6698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0290 4.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0290 3.7188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9058 3.7188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7840 -4.6595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3476 -5.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9852 -4.8103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4216 -4.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9118 4.6867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0275 -5.9907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7869 -6.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2253 -5.6698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 12 2 1 1 0 0 0 2 22 1 0 0 0 0 3 13 2 0 0 0 0 4 22 2 0 0 0 0 5 35 2 0 0 0 0 23 6 1 6 0 0 0 6 35 1 0 0 0 0 6 75 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 1 0 0 0 7 13 1 0 0 0 0 7 37 1 0 0 0 0 8 10 1 6 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 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 20 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 18 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 21 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 24 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 23 1 0 0 0 0 23 25 1 0 0 0 0 23 63 1 0 0 0 0 24 26 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 28 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 27 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 29 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 28 72 1 0 0 0 0 29 30 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 33 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 33 34 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 34 36 1 0 0 0 0 34 86 1 0 0 0 0 34 87 1 0 0 0 0 35 88 1 0 0 0 0 36 89 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 M END > 71749577 > 1 > 608 > 5 > 1 > 23 > AAADcfB6OAAAAAAAAAAAAAAAAABIAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADTzhgAYCCALABAAIAACQmAAAAAAAAAAAAIGIAAACABYAgCAHAAAFNgAQAAGI7OzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(1S)-1-[[(2S,3S)-3-(2-methylbutyl)-4-oxo-oxetan-2-yl]methyl]tetradecyl] (2S)-2-formamido-4-methyl-pentanoate > (2S)-2-formamido-4-methylpentanoic acid [(2S)-1-[(2S,3S)-3-(2-methylbutyl)-4-oxo-2-oxetanyl]pentadecan-2-yl] ester > [(2S)-1-[(2S,3S)-3-(2-methylbutyl)-4-oxooxetan-2-yl]pentadecan-2-yl] (2S)-2-formamido-4-methylpentanoate > [(2S)-1-[(2S,3S)-3-(2-methylbutyl)-4-oxooxetan-2-yl]pentadecan-2-yl] (2S)-2-formamido-4-methylpentanoate > [(2S)-1-[(2S,3S)-3-(2-methylbutyl)-4-oxidanylidene-oxetan-2-yl]pentadecan-2-yl] (2S)-2-formamido-4-methyl-pentanoate > (2S)-2-formamido-4-methyl-valeric acid [(1S)-1-[[(2S,3S)-4-keto-3-(2-methylbutyl)oxetan-2-yl]methyl]tetradecyl] ester > InChI=1S/C30H55NO5/c1-6-8-9-10-11-12-13-14-15-16-17-18-25(35-30(34)27(31-22-32)19-23(3)4)21-28-26(29(33)36-28)20-24(5)7-2/h22-28H,6-21H2,1-5H3,(H,31,32)/t24?,25-,26-,27-,28-/m0/s1 > HJYUNNNEBYSZMW-GTVUPVIPSA-N > 10.2 > 509.40802385 > C30H55NO5 > 509.8 > CCCCCCCCCCCCCC(CC1C(C(=O)O1)CC(C)CC)OC(=O)C(CC(C)C)NC=O > CCCCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CC(C)CC)OC(=O)[C@H](CC(C)C)NC=O > 81.7 > 509.40802385 > 0 > 36 > 4 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 17 3 12 2 5 23 6 6 7 9 5 8 10 6 $$$$