1153710 -OEChem-05102409262D 69 73 0 1 0 0 0 0 0999 V2000 5.3147 1.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4571 2.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4571 1.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 3.1374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.6374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3717 -0.4503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9898 -0.4503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6808 -1.4014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 3.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.1374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3147 2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 4.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 3.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 4.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 3.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0407 2.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 -1.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 -3.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0984 -2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 -3.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9119 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5107 -2.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3296 -4.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 2.2998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 1.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 1.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 3.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 3.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 1.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 0.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 2.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 1.9366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 3.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7913 4.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3928 4.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 3.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5143 3.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 5.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 4.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0047 4.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9687 1.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 1.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 3.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2419 1.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 0.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5016 1.7227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5016 2.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1163 -3.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8463 -1.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1641 -4.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8941 -2.8501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 -4.2730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9652 -5.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8312 -5.0019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 20 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 11 1 0 0 0 0 5 17 1 0 0 0 0 5 47 1 0 0 0 0 16 6 1 6 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 8 30 2 0 0 0 0 9 10 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 18 21 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 22 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 23 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 25 28 2 0 0 0 0 25 59 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 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 35 1 0 0 0 0 32 63 1 0 0 0 0 33 36 2 0 0 0 0 33 64 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 M END > 1153710 > 1 > 772 > 7 > 1 > 9 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAeJEAAAwYAAAAAAAAEgB0AAAHgAYAAAADCzBmwczHofABACqAiNyMACSCAIgoAAciKGujJgdZrKEsTu0MCpk3hGOqAew0BIOYAABAAAAQADAAAIAAACAAAAAAAAAAA== > (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(p-tolyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-butanamide > (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-methylphenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-cyclopentylbutanamide > (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide > (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide > (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoyl]amino]-N-cyclopentyl-butanamide > (2S)-N-cyclopentyl-2-[piperonyl-[2-[5-(p-tolyl)tetrazol-2-yl]acetyl]amino]butyramide > InChI=1S/C27H32N6O4/c1-3-22(27(35)28-21-6-4-5-7-21)32(15-19-10-13-23-24(14-19)37-17-36-23)25(34)16-33-30-26(29-31-33)20-11-8-18(2)9-12-20/h8-14,21-22H,3-7,15-17H2,1-2H3,(H,28,35)/t22-/m0/s1 > HVTPLEZMHYFVCW-QFIPXVFZSA-N > 4.6 > 504.24850352 > C27H32N6O4 > 504.6 > CCC(C(=O)NC1CCCC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)CN4N=C(N=N4)C5=CC=C(C=C5)C > CC[C@@H](C(=O)NC1CCCC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)CN4N=C(N=N4)C5=CC=C(C=C5)C > 112 > 504.24850352 > 0 > 37 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 30 8 22 24 8 22 25 8 24 26 8 25 28 8 26 27 8 27 28 8 31 32 8 31 33 8 32 35 8 33 36 8 34 35 8 34 36 8 16 6 6 7 8 8 7 9 8 8 30 8 9 10 8 $$$$