40645513 -OEChem-05042403072D 71 74 0 1 0 0 0 0 0999 V2000 2.1810 2.5205 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1537 3.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 2.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 -4.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -5.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9726 4.7657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 2.8341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9334 0.3025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 -0.6485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9334 0.3025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2425 -0.6485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9671 4.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6363 4.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4671 5.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5498 4.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4453 5.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 3.7477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5659 3.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 4.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 2.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 5.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 3.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 4.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 5.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 5.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -2.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2995 -2.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -3.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2995 -3.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -4.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8354 -3.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2995 -5.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6295 5.3902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1347 3.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9463 3.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6587 6.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9007 5.9885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7414 3.9442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1563 4.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0653 5.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5101 6.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 5.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9358 3.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4696 4.9034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5529 4.1107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6128 2.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 2.1336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9567 5.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6425 6.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8239 5.7224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8317 1.4583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9150 0.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 4.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 4.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 5.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 5.6582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0305 -2.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8364 -2.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8364 -4.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1454 -3.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 -3.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5254 -4.2732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9895 -6.2732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8364 -6.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6095 -5.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 18 2 0 0 0 0 3 22 2 0 0 0 0 4 34 1 0 0 0 0 4 37 1 0 0 0 0 5 36 1 0 0 0 0 5 38 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 6 48 1 0 0 0 0 17 7 1 6 0 0 0 7 20 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 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 13 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 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 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 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 19 1 0 0 0 0 17 49 1 0 0 0 0 19 21 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 20 52 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 23 25 1 0 0 0 0 23 26 2 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 59 1 0 0 0 0 27 29 1 0 0 0 0 27 60 1 0 0 0 0 28 29 2 0 0 0 0 28 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 34 1 0 0 0 0 32 63 1 0 0 0 0 33 35 2 0 0 0 0 33 64 1 0 0 0 0 34 36 2 0 0 0 0 35 36 1 0 0 0 0 35 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 M END > 40645513 > 1 > 772 > 8 > 1 > 11 > AAADcfB7uQAAAAAAAAAAAAAAAAAAAeIAAAAwYAAAAAAAAAAB0AAAHwAYAAAADCzBmw4zFofABACqAiNyMACSCAIgoAAciKGujJgNZrKEsTuUMCpk3hGKqAew0BAOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > (2R)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(2-fluorophenyl)methyl]amino]butanamide > (2R)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-1-oxoethyl]-[(2-fluorophenyl)methyl]amino]butanamide > (2R)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(2-fluorophenyl)methyl]amino]butanamide > (2R)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(2-fluorophenyl)methyl]amino]butanamide > (2R)-N-cyclopentyl-2-[2-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanoyl-[(2-fluorophenyl)methyl]amino]butanamide > (2R)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(2-fluorobenzyl)amino]butyramide > InChI=1S/C27H33FN6O4/c1-4-22(27(36)29-20-10-6-7-11-20)33(16-19-9-5-8-12-21(19)28)25(35)17-34-31-26(30-32-34)18-13-14-23(37-2)24(15-18)38-3/h5,8-9,12-15,20,22H,4,6-7,10-11,16-17H2,1-3H3,(H,29,36)/t22-/m1/s1 > LHMBGTWWFMPMNL-JOCHJYFZSA-N > 4.5 > 524.25473172 > C27H33FN6O4 > 524.6 > CCC(C(=O)NC1CCCC1)N(CC2=CC=CC=C2F)C(=O)CN3N=C(N=N3)C4=CC(=C(C=C4)OC)OC > CC[C@H](C(=O)NC1CCCC1)N(CC2=CC=CC=C2F)C(=O)CN3N=C(N=N3)C4=CC(=C(C=C4)OC)OC > 112 > 524.25473172 > 0 > 38 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 11 30 8 23 25 8 23 26 8 25 27 8 26 28 8 27 29 8 28 29 8 31 32 8 31 33 8 32 34 8 33 35 8 34 36 8 35 36 8 17 7 6 8 10 8 8 9 8 9 30 8 $$$$