5446815 -OEChem-04192410482D 71 75 0 1 0 0 0 0 0999 V2000 5.3864 2.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9844 1.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5287 3.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5287 2.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -2.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5204 3.8442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1184 3.3442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 0.8442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 0.2564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0614 0.2564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 -0.6946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6543 3.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7408 3.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5498 2.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0716 3.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 2.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3864 3.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 3.8442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2524 4.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9844 3.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1184 2.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8505 3.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 1.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7165 3.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8505 2.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5825 3.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5825 2.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7165 1.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1124 2.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 -0.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -1.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -1.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 -2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -2.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -3.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -3.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 -4.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1743 3.0066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 4.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2392 4.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6146 1.7331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1698 2.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6568 3.4686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5701 2.6434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0053 1.8896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7632 1.5521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5204 4.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 3.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8724 4.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 5.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6324 4.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3830 4.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5859 4.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0404 2.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6418 1.7366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7165 4.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3135 2.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7165 1.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5732 2.4295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5732 3.2590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9179 -0.8327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 -2.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2357 -3.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -2.5482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -3.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 -3.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2416 -5.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0602 -5.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3744 -4.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 22 2 0 0 0 0 3 27 1 0 0 0 0 3 30 1 0 0 0 0 4 28 1 0 0 0 0 4 30 1 0 0 0 0 5 35 1 0 0 0 0 5 38 1 0 0 0 0 6 37 1 0 0 0 0 6 39 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 7 49 1 0 0 0 0 19 8 1 6 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 10 31 2 0 0 0 0 11 12 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 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 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 23 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 27 1 0 0 0 0 25 58 1 0 0 0 0 26 29 2 0 0 0 0 26 59 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 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 37 2 0 0 0 0 36 37 1 0 0 0 0 36 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 38 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 M END > 5446815 > 1 > 831 > 9 > 1 > 10 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAeJEAAAwYAAAAAAAAEgB0AAAHgAYAAAADCzBmwczHofABACqAiNyMACSCAIgoAAciKGujJgdZqKEsTu0MCpk3hGOqAew0BIOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-propanamide > (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-cyclopentylpropanamide > (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide > (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide > (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanoyl]amino]-N-cyclopentyl-propanamide > (2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-piperonyl-amino]propionamide > InChI=1S/C27H32N6O6/c1-17(27(35)28-20-6-4-5-7-20)32(14-18-8-10-22-24(12-18)39-16-38-22)25(34)15-33-30-26(29-31-33)19-9-11-21(36-2)23(13-19)37-3/h8-13,17,20H,4-7,14-16H2,1-3H3,(H,28,35)/t17-/m0/s1 > PUCYXRNMYVIXAR-KRWDZBQOSA-N > 3.7 > 536.23833276 > C27H32N6O6 > 536.6 > CC(C(=O)NC1CCCC1)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)NC1CCCC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)CN4N=C(N=N4)C5=CC(=C(C=C5)OC)OC > 130 > 536.23833276 > 0 > 39 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 31 8 11 12 8 12 31 8 23 25 8 23 26 8 25 27 8 26 29 8 27 28 8 28 29 8 32 33 8 32 34 8 33 35 8 34 36 8 35 37 8 36 37 8 19 8 6 9 10 8 9 11 8 $$$$