3178679 -OEChem-04262419362D 65 68 0 1 0 0 0 0 0999 V2000 2.6130 -4.6374 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 2.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 1.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.6374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 -0.4503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -0.4503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -1.4014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1374 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 3.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 2.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -1.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3763 -2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 -3.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3818 -2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 -2.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2008 -3.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 4.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 4.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 3.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 3.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.8275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 3.8135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 4.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 3.1935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 1.4614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 1.2345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 2.0814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 5.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 4.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 1.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7849 1.7227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7849 2.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3997 -3.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1296 -1.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4474 -4.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1774 -2.8501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 15 2 0 0 0 0 3 20 2 0 0 0 0 4 26 1 0 0 0 0 4 29 1 0 0 0 0 5 27 1 0 0 0 0 5 29 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 42 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 14 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 22 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 16 21 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 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 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 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 > 3178679 > 1 > 759 > 8 > 1 > 9 > AAADceB7uQAAAAAAAAAAAAAAAAAAAWJAAAAwYAAAAAAAAEgB0AAAHwAYAAAADKzBmw8zHofABACqAiNyMACSCAIgoAAciCGujJgdZrKEsTu0MCpk3hGOqAew0BIOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > 2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-butanamide > 2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-tert-butylbutanamide > 2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-tert-butylbutanamide > 2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-tert-butylbutanamide > 2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-fluorophenyl)-1,2,3,4-tetrazol-2-yl]ethanoyl]amino]-N-tert-butyl-butanamide > N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-piperonyl-amino]butyramide > InChI=1S/C25H29FN6O4/c1-5-19(24(34)27-25(2,3)4)31(13-16-6-11-20-21(12-16)36-15-35-20)22(33)14-32-29-23(28-30-32)17-7-9-18(26)10-8-17/h6-12,19H,5,13-15H2,1-4H3,(H,27,34) > QKVTXNCCRWDNBY-UHFFFAOYSA-N > 4.1 > 496.22343159 > C25H29FN6O4 > 496.5 > CCC(C(=O)NC(C)(C)C)N(CC1=CC2=C(C=C1)OCO2)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F > CCC(C(=O)NC(C)(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 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 11 30 8 12 14 3 21 24 8 21 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 8 10 8 8 9 8 9 30 8 $$$$