70249512 -OEChem-04252411342D 95100 0 1 0 0 0 0 0999 V2000 9.2136 -0.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -2.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -3.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.3397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.0564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 0.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 0.0232 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8349 1.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -0.1830 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4778 2.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -1.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 1.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.2902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -2.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 2.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 0.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -3.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8959 2.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 2.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 3.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -3.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1851 3.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -3.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2066 3.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4957 4.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -4.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -2.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 4.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8279 5.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -3.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 -2.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8494 5.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2171 -2.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2705 0.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3532 -0.5661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8555 0.5603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4488 1.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 2.0101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8060 1.2301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6925 1.8385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5282 2.6184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4787 3.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8854 2.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9606 -0.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0041 3.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 3.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4258 0.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6682 1.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8203 -0.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3946 0.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1522 -0.2202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 -0.8783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -1.8288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -1.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -2.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 0.3039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0885 3.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -4.2517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 3.0495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3998 2.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2355 3.6946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7553 -3.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5129 -4.1479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0140 3.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1024 5.0293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7354 -4.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1567 -1.9544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 4.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0205 6.2351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3206 -4.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7419 -1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4353 5.9010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8238 -2.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 65 1 0 0 0 0 2 17 2 0 0 0 0 3 22 1 0 0 0 0 3 33 1 0 0 0 0 4 24 1 0 0 0 0 4 34 1 0 0 0 0 5 24 2 0 0 0 0 6 17 1 0 0 0 0 20 6 1 6 0 0 0 6 68 1 0 0 0 0 7 29 1 0 0 0 0 7 31 1 0 0 0 0 7 77 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 50 1 0 0 0 0 9 14 1 0 0 0 0 9 51 1 0 0 0 0 10 12 1 0 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 13 1 0 0 0 0 11 54 1 0 0 0 0 11 55 1 0 0 0 0 12 15 1 0 0 0 0 12 56 1 0 0 0 0 12 57 1 0 0 0 0 13 15 1 0 0 0 0 13 58 1 0 0 0 0 13 59 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 60 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 16 18 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 18 19 1 0 0 0 0 18 66 1 0 0 0 0 18 67 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 69 1 0 0 0 0 21 25 1 0 0 0 0 21 70 1 0 0 0 0 21 71 1 0 0 0 0 22 26 2 0 0 0 0 23 27 1 0 0 0 0 23 72 1 0 0 0 0 25 28 1 0 0 0 0 25 29 2 0 0 0 0 26 30 1 0 0 0 0 26 73 1 0 0 0 0 27 30 2 0 0 0 0 27 74 1 0 0 0 0 28 31 1 0 0 0 0 28 32 2 0 0 0 0 29 75 1 0 0 0 0 30 76 1 0 0 0 0 31 35 2 0 0 0 0 32 36 1 0 0 0 0 32 78 1 0 0 0 0 33 38 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 34 39 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 35 37 1 0 0 0 0 35 83 1 0 0 0 0 36 37 2 0 0 0 0 36 84 1 0 0 0 0 37 85 1 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 39 42 2 0 0 0 0 39 43 1 0 0 0 0 40 44 1 0 0 0 0 40 86 1 0 0 0 0 41 45 2 0 0 0 0 41 87 1 0 0 0 0 42 46 1 0 0 0 0 42 88 1 0 0 0 0 43 47 2 0 0 0 0 43 89 1 0 0 0 0 44 48 2 0 0 0 0 44 90 1 0 0 0 0 45 48 1 0 0 0 0 45 91 1 0 0 0 0 46 49 2 0 0 0 0 46 92 1 0 0 0 0 47 49 1 0 0 0 0 47 93 1 0 0 0 0 48 94 1 0 0 0 0 49 95 1 0 0 0 0 M END > 70249512 > 1 > 990 > 5 > 3 > 16 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAWAAAAAwYMGDAAAAAFgB9AAAHgAQCAAADTzhngY8zvLJlgCoAzX3XACCiCAxIiAI2aG+bJgONvbEsbuHeCjm9hHY6AeY2fKOgAAAAAAKAAAAAAAAABQAAAAAAAAAAA== > benzyl (2S)-2-[[4-(2-benzyloxyphenyl)-2-[cyclohexyl(hydroxy)methyl]butanoyl]amino]-3-(1H-indol-3-yl)propanoate > (2S)-2-[[2-[cyclohexyl(hydroxy)methyl]-1-oxo-4-(2-phenylmethoxyphenyl)butyl]amino]-3-(1H-indol-3-yl)propanoic acid (phenylmethyl) ester > benzyl (2S)-2-[[2-[cyclohexyl(hydroxy)methyl]-4-(2-phenylmethoxyphenyl)butanoyl]amino]-3-(1H-indol-3-yl)propanoate > benzyl (2S)-2-[[2-[cyclohexyl(hydroxy)methyl]-4-(2-phenylmethoxyphenyl)butanoyl]amino]-3-(1H-indol-3-yl)propanoate > (phenylmethyl) (2S)-2-[[2-[cyclohexyl(oxidanyl)methyl]-4-(2-phenylmethoxyphenyl)butanoyl]amino]-3-(1H-indol-3-yl)propanoate > (2S)-2-[[4-(2-benzoxyphenyl)-2-[cyclohexyl(hydroxy)methyl]butanoyl]amino]-3-(1H-indol-3-yl)propionic acid benzyl ester > InChI=1S/C42H46N2O5/c45-40(33-19-8-3-9-20-33)36(25-24-32-18-10-13-23-39(32)48-28-30-14-4-1-5-15-30)41(46)44-38(42(47)49-29-31-16-6-2-7-17-31)26-34-27-43-37-22-12-11-21-35(34)37/h1-2,4-7,10-18,21-23,27,33,36,38,40,43,45H,3,8-9,19-20,24-26,28-29H2,(H,44,46)/t36?,38-,40?/m0/s1 > RPNOWKQCIYVIJI-PMKWLJLMSA-N > 8.6 > 658.34067257 > C42H46N2O5 > 658.8 > C1CCC(CC1)C(C(CCC2=CC=CC=C2OCC3=CC=CC=C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OCC6=CC=CC=C6)O > C1CCC(CC1)C(C(CCC2=CC=CC=C2OCC3=CC=CC=C3)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)OCC6=CC=CC=C6)O > 101 > 658.34067257 > 0 > 49 > 1 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 9 1 3 14 16 3 19 22 8 19 23 8 22 26 8 23 27 8 25 28 8 25 29 8 26 30 8 27 30 8 28 31 8 28 32 8 31 35 8 32 36 8 35 37 8 36 37 8 38 40 8 38 41 8 39 42 8 39 43 8 40 44 8 41 45 8 42 46 8 43 47 8 44 48 8 45 48 8 46 49 8 47 49 8 20 6 6 7 29 8 7 31 8 $$$$