23724921 -OEChem-04242401552D 64 67 0 1 0 0 0 0 0999 V2000 7.9719 3.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 -0.8785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1162 5.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 5.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6727 0.0838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6588 -2.3934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7349 2.1206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7085 2.7389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0770 1.1809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4497 1.7729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1074 2.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8486 1.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8286 2.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6543 0.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7415 3.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8352 3.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5606 4.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5508 -0.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4571 -1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 3.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 4.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4735 5.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5672 5.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6762 -1.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1097 3.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0225 4.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -2.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -3.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8921 -4.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8746 -5.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7760 2.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9285 3.5599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6692 0.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2297 0.9519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7014 2.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3023 2.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6537 0.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4426 1.0863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2110 2.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6682 1.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 3.8510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5754 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6604 2.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4544 2.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1861 5.2202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9813 5.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5131 6.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4921 3.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9492 3.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1902 -2.7127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -2.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1718 -2.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 -4.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3791 -3.7811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6902 -3.7766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2797 -4.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0765 -5.9489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -5.2657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 5.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6994 -5.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4577 -6.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 -6.3898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 25 2 0 0 0 0 4 27 1 0 0 0 0 4 61 1 0 0 0 0 5 27 2 0 0 0 0 6 15 2 0 0 0 0 6 19 1 0 0 0 0 7 25 1 0 0 0 0 7 28 1 0 0 0 0 7 52 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 1 0 0 0 8 33 1 0 0 0 0 9 12 1 0 0 0 0 9 34 1 1 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 35 1 6 0 0 0 11 13 1 0 0 0 0 11 36 1 1 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 23 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 44 1 0 0 0 0 21 26 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 24 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 M END > 23724921 > 1 > 644 > 6 > 2 > 11 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAWJEgAAwYAAAAAAAAAABwAAAHgAQCAAADRzhngYyjJLIFkCoAy3y3ASCiCAvYiAIiIG9JMgOYD6MkTCfaGintgCYiIf6yPCOgAAAAAAQAAAAAAIAADAAAAAAAAAAAA== > 3-[2-[[(1R,2R,3S,4R)-3-[4-(pentylcarbamoyl)oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid > 3-[2-[[(1R,2R,3S,4R)-3-[4-[oxo-(pentylamino)methyl]-2-oxazolyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid > 3-[2-[[(1R,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid > 3-[2-[[(1R,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid > 3-[2-[[(1R,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid > 3-[2-[[(1R,2R,3S,4R)-3-[4-(amylcarbamoyl)oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propionic acid > InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)/t18-,20+,21+,23-/m0/s1 > BBPRUNPUJIUXSE-NQAVQENRSA-N > 4 > 440.23112213 > C25H32N2O5 > 440.5 > CCCCCNC(=O)C1=COC(=N1)C2C3CCC(C2CC4=CC=CC=C4CCC(=O)O)O3 > CCCCCNC(=O)C1=COC(=N1)[C@@H]2[C@H]3CC[C@H]([C@@H]2CC4=CC=CC=C4CCC(=O)O)O3 > 102 > 440.23112213 > 0 > 32 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 35 6 11 36 5 16 17 8 16 18 8 17 22 8 18 23 8 19 20 8 2 15 8 2 20 8 22 24 8 23 24 8 6 15 8 6 19 8 8 14 5 9 34 5 $$$$