40586562 -OEChem-04262410522D 65 68 0 1 0 0 0 0 0999 V2000 4.3450 -4.3874 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 3.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 1.5827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3871 -0.2003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0052 -0.2003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -1.1514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.3874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0561 2.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1084 -1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5151 -2.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1138 -1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9273 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5261 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9328 -3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 3.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 3.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 3.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 3.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 4.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 4.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.8505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 1.9701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 1.2798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.5774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5170 1.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5170 2.8022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1317 -2.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8617 -1.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1795 -4.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9095 -2.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 17 2 0 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 4 27 1 0 0 0 0 4 29 1 0 0 0 0 5 20 2 0 0 0 0 12 6 1 6 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 9 30 2 0 0 0 0 10 11 2 0 0 0 0 11 30 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 40 1 0 0 0 0 15 19 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 23 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 26 1 0 0 0 0 24 57 1 0 0 0 0 25 28 2 0 0 0 0 25 58 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 62 1 0 0 0 0 33 35 2 0 0 0 0 33 63 1 0 0 0 0 34 36 2 0 0 0 0 34 64 1 0 0 0 0 35 36 1 0 0 0 0 35 65 1 0 0 0 0 M END > 40586562 > 1 > 737 > 8 > 1 > 10 > AAADceB7uQAAAAAAAAAAAAAAAAAAAWJAAAAwYAAAAAAAAEgB0AAAHwAYAAAADSzBmw8zHofABACqAiNyMACSCAIgoAAciKGujJgdZqKEsTu0MCpk3hGOqAew0BIOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-isopentyl-propanamide > (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-(3-methylbutyl)propanamide > (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide > (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide > (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-fluorophenyl)-1,2,3,4-tetrazol-2-yl]ethanoyl]amino]-N-(3-methylbutyl)propanamide > (2S)-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-piperonyl-amino]-N-isoamyl-propionamide > InChI=1S/C25H29FN6O4/c1-16(2)10-11-27-25(34)17(3)31(13-18-4-9-21-22(12-18)36-15-35-21)23(33)14-32-29-24(28-30-32)19-5-7-20(26)8-6-19/h4-9,12,16-17H,10-11,13-15H2,1-3H3,(H,27,34)/t17-/m0/s1 > KHZFEVVNPWAYMO-KRWDZBQOSA-N > 4.3 > 496.22343159 > C25H29FN6O4 > 496.5 > CC(C)CCNC(=O)C(C)N(CC1=CC2=C(C=C1)OCO2)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F > C[C@@H](C(=O)NCCC(C)C)N(CC1=CC2=C(C=C1)OCO2)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F > 112 > 496.22343159 > 0 > 36 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 11 30 8 19 24 8 19 25 8 24 26 8 25 28 8 26 27 8 27 28 8 31 32 8 31 33 8 32 34 8 33 35 8 34 36 8 35 36 8 12 6 6 8 10 8 8 9 8 9 30 8 $$$$