3179325 -OEChem-05052415082D 62 65 0 0 0 0 0 0 0999 V2000 2.0000 2.3171 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.5692 2.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5692 0.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4268 0.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 3.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1588 1.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 -0.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5608 2.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6472 1.9920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4562 3.3933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4781 3.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5608 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4268 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4268 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1588 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5608 -3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6947 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8909 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7569 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8909 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6229 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4268 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6229 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7569 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1528 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 2.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 3.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 1.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 3.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 2.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5608 -1.9812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6388 -2.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0374 -1.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2147 -0.5186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 -1.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4234 2.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6263 2.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3709 0.3162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7694 1.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9408 -3.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5608 -4.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1808 -3.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0047 -1.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1578 -1.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3847 -2.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8298 -0.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7569 3.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3540 0.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0283 1.4238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8253 1.4238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7569 -0.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6136 0.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6136 1.8135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 4.0061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 1.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 3.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3301 1.0462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 24 1 0 0 0 0 2 28 1 0 0 0 0 3 26 1 0 0 0 0 3 28 1 0 0 0 0 4 20 2 0 0 0 0 5 21 2 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 21 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 7 51 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 9 29 2 0 0 0 0 10 11 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 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 20 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 52 1 0 0 0 0 23 27 2 0 0 0 0 23 53 1 0 0 0 0 24 26 2 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 59 1 0 0 0 0 32 34 2 0 0 0 0 32 60 1 0 0 0 0 33 35 2 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 M END > 3179325 > 1 > 708 > 8 > 1 > 10 > AAADceB7uQAAAAAAAAAAAAAAAAAAAWJAAAAwYAAAAAAAAEgB0AAAHwAYAAAADQTBmw8zHofABACqAiNyMACSCAIgoAAciKCujJgdZqKEsTu0MCpk3hGOqAew0BIOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(isopentylamino)-2-oxo-ethyl]acetamide > N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-fluorophenyl)-2-tetrazolyl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide > N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide > N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide > N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-fluorophenyl)-1,2,3,4-tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]ethanamide > 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(isoamylamino)-2-keto-ethyl]-N-piperonyl-acetamide > InChI=1S/C24H27FN6O4/c1-16(2)9-10-26-22(32)13-30(12-17-3-8-20-21(11-17)35-15-34-20)23(33)14-31-28-24(27-29-31)18-4-6-19(25)7-5-18/h3-8,11,16H,9-10,12-15H2,1-2H3,(H,26,32) > UZWHUASLSXWNKE-UHFFFAOYSA-N > 3.9 > 482.20778153 > C24H27FN6O4 > 482.5 > CC(C)CCNC(=O)CN(CC1=CC2=C(C=C1)OCO2)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F > CC(C)CCNC(=O)CN(CC1=CC2=C(C=C1)OCO2)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F > 112 > 482.20778153 > 0 > 35 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 11 29 8 19 22 8 19 23 8 22 24 8 23 27 8 24 26 8 26 27 8 30 31 8 30 32 8 31 33 8 32 34 8 33 35 8 34 35 8 8 10 8 8 9 8 9 29 8 $$$$