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0 6.3301 4.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 2.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -0.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2423 -1.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2478 -1.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6491 -2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -2.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0613 -3.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -3.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0777 -2.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8857 -4.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.9642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 4.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 4.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 1.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 3.9268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 3.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.3693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.3693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 4.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 4.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 4.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 4.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 2.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.7366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 2.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6510 2.4295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6510 3.2590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9956 -0.8327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2657 -2.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3135 -3.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5761 -2.5482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7133 -3.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5793 -3.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3193 -5.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1379 -5.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4521 -4.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 23 2 0 0 0 0 3 28 1 0 0 0 0 3 31 1 0 0 0 0 4 29 1 0 0 0 0 4 31 1 0 0 0 0 5 36 1 0 0 0 0 5 39 1 0 0 0 0 6 38 1 0 0 0 0 6 40 1 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 7 52 1 0 0 0 0 20 8 1 1 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 10 32 2 0 0 0 0 11 12 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 24 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 28 1 0 0 0 0 26 61 1 0 0 0 0 27 30 2 0 0 0 0 27 62 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 37 2 0 0 0 0 35 67 1 0 0 0 0 36 38 2 0 0 0 0 37 38 1 0 0 0 0 37 68 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 M END > 1142881 > 1 > 846 > 9 > 1 > 10 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAWJAAAAwYMAAAAAAAEgB0AAAHgAYAAAADCzBmwczHofABACqAiNyMACSCAIgoAAciKGujJgdZqKEsTu0MCpk3hGOqAew0BIOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > (2R)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclohexyl-propanamide > (2R)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-cyclohexylpropanamide > (2R)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclohexylpropanamide > (2R)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclohexylpropanamide > (2R)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanoyl]amino]-N-cyclohexyl-propanamide > (2R)-N-cyclohexyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-piperonyl-amino]propionamide > InChI=1S/C28H34N6O6/c1-18(28(36)29-21-7-5-4-6-8-21)33(15-19-9-11-23-25(13-19)40-17-39-23)26(35)16-34-31-27(30-32-34)20-10-12-22(37-2)24(14-20)38-3/h9-14,18,21H,4-8,15-17H2,1-3H3,(H,29,36)/t18-/m1/s1 > VZYLKIWYZAOHEA-GOSISDBHSA-N > 4.2 > 550.25398283 > C28H34N6O6 > 550.6 > CC(C(=O)NC1CCCCC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)CN4N=C(N=N4)C5=CC(=C(C=C5)OC)OC > C[C@H](C(=O)NC1CCCCC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)CN4N=C(N=N4)C5=CC(=C(C=C5)OC)OC > 130 > 550.25398283 > 0 > 40 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 32 8 11 12 8 12 32 8 24 26 8 24 27 8 26 28 8 27 30 8 28 29 8 29 30 8 33 34 8 33 35 8 34 36 8 35 37 8 36 38 8 37 38 8 20 8 5 9 10 8 9 11 8 $$$$