59200620 -OEChem-04262409002D 71 75 0 1 0 0 0 0 0999 V2000 5.8417 2.2316 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.6442 4.2678 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0172 0.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5886 0.1181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8911 -2.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8911 -3.6410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1873 -0.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 -1.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7642 -1.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4333 -2.2431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2642 -0.6339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2423 -0.8418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5996 -0.0909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6050 -0.1955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0063 0.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1983 -1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 -2.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1819 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8252 2.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 -2.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7696 -1.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -3.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8362 2.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2147 -1.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -3.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2429 3.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -4.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 -1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 -2.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3468 -1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2129 -2.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0789 -1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9449 -2.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9449 -3.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2129 -3.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0789 -3.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4748 -2.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3474 -0.6573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8572 0.3709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5203 0.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4370 1.2686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1550 -1.7275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7999 -1.2590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9352 -1.4663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8393 -0.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7538 -2.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3986 -2.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4006 0.5488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4418 2.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1718 0.9607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2124 -1.8762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9405 -2.2004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7602 -3.6467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4669 -0.8562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8785 3.7513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9513 -4.7817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 -4.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 -1.0255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 -2.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 -3.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -4.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0789 -1.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6759 -3.6463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0789 -4.4563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9356 -3.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9356 -2.4216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 26 1 0 0 0 0 14 3 1 1 0 0 0 3 52 1 0 0 0 0 4 19 2 0 0 0 0 5 37 1 0 0 0 0 5 41 1 0 0 0 0 6 38 1 0 0 0 0 6 41 1 0 0 0 0 13 7 1 6 0 0 0 7 19 1 0 0 0 0 7 48 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 33 2 0 0 0 0 11 12 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 14 16 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 46 1 0 0 0 0 16 47 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 23 1 0 0 0 0 20 26 1 0 0 0 0 20 53 1 0 0 0 0 21 25 2 0 0 0 0 21 54 1 0 0 0 0 22 24 1 0 0 0 0 22 27 2 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 28 2 0 0 0 0 24 57 1 0 0 0 0 25 29 1 0 0 0 0 26 29 2 0 0 0 0 27 31 1 0 0 0 0 27 58 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 0 0 0 0 29 59 1 0 0 0 0 30 35 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 2 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 34 36 2 0 0 0 0 34 39 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 36 67 1 0 0 0 0 37 38 2 0 0 0 0 38 40 1 0 0 0 0 39 40 2 0 0 0 0 39 68 1 0 0 0 0 40 69 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 M END > 59200620 > 1 > 822 > 10 > 3 > 12 > AAADceB7uYAAAAAAAAAAAAAAAAAAAWJAAAAwYMAAAAAAAEgB1AAAHwAYCAAADDzhmw8zHobABgCqAiNyMACSCAIgoAAciKCujJgfdqKE8Ru0cCpk3hGeqAew0PAOIAADAAAAQABAAAYAAACAAAAAAAAAAA== > 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-3-[(3-ethylphenyl)methylamino]-2-hydroxy-propyl]acetamide > 2-[5-(1,3-benzodioxol-5-yl)-2-tetrazolyl]-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]acetamide > 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]acetamide > 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]acetamide > 2-[5-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-2-yl]-N-[(2S,3R)-1-[3,5-bis(fluoranyl)phenyl]-4-[(3-ethylphenyl)methylamino]-3-oxidanyl-butan-2-yl]ethanamide > 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxy-propyl]acetamide > InChI=1S/C29H30F2N6O4/c1-2-18-4-3-5-19(8-18)14-32-15-25(38)24(11-20-9-22(30)13-23(31)10-20)33-28(39)16-37-35-29(34-36-37)21-6-7-26-27(12-21)41-17-40-26/h3-10,12-13,24-25,32,38H,2,11,14-17H2,1H3,(H,33,39)/t24-,25+/m0/s1 > VLEDWVDVEUMKNR-LOSJGSFVSA-N > 4.5 > 564.22965978 > C29H30F2N6O4 > 564.6 > CCC1=CC(=CC=C1)CNCC(C(CC2=CC(=CC(=C2)F)F)NC(=O)CN3N=C(N=N3)C4=CC5=C(C=C4)OCO5)O > CCC1=CC(=CC=C1)CNC[C@H]([C@H](CC2=CC(=CC(=C2)F)F)NC(=O)CN3N=C(N=N3)C4=CC5=C(C=C4)OCO5)O > 123 > 564.22965978 > 0 > 41 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 33 8 11 12 8 12 33 8 17 20 8 17 21 8 20 26 8 21 25 8 22 24 8 22 27 8 24 28 8 25 29 8 26 29 8 27 31 8 28 32 8 14 3 5 31 32 8 34 36 8 34 39 8 36 37 8 37 38 8 38 40 8 39 40 8 13 7 6 9 10 8 9 11 8 $$$$