70247646 -OEChem-05112401012D 89 94 0 1 0 0 0 0 0999 V2000 8.8961 0.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9605 0.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2927 1.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9426 -1.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6534 -2.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6069 -0.2233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0071 -3.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5389 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5174 2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2282 1.6778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1817 4.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8280 3.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1602 4.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2497 1.4715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5819 2.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 0.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6034 2.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8925 3.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2962 -1.1738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3177 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 2.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2247 3.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2462 3.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0071 -2.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9641 -1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0608 -2.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5907 -3.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0608 -3.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1948 -2.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1948 -4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6104 -2.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3288 -2.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3288 -3.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 1.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 2.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5889 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 3.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 3.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2568 -2.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8996 -1.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2353 -2.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8781 -1.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5459 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9322 2.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3241 3.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4885 2.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5380 2.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1312 2.7472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8349 1.8056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1611 4.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5679 4.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3750 3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2106 4.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6866 4.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9289 5.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6638 1.0101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5027 1.0613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2136 -0.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4992 3.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8822 -0.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2972 -0.7604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7039 -1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 2.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4173 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8321 4.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7878 0.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5454 0.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2107 -3.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1997 -4.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1948 -1.5153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1948 -4.7553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0841 -2.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -3.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 -2.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 -3.9453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 0.8016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 2.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 2.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 3.8813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 3.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0642 -3.5836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4855 -0.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6493 -3.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0707 -0.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1526 -1.7097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 1 61 1 0 0 0 0 2 17 2 0 0 0 0 3 18 1 0 0 0 0 3 28 1 0 0 0 0 4 26 1 0 0 0 0 4 34 1 0 0 0 0 5 26 2 0 0 0 0 6 17 1 0 0 0 0 20 6 1 6 0 0 0 6 62 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 7 73 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 48 1 0 0 0 0 9 12 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 13 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 15 1 0 0 0 0 11 53 1 0 0 0 0 12 14 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 14 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 1 0 0 0 15 60 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 19 63 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 20 64 1 0 0 0 0 21 25 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 22 24 1 0 0 0 0 22 67 1 0 0 0 0 23 24 2 0 0 0 0 23 68 1 0 0 0 0 24 69 1 0 0 0 0 25 27 1 0 0 0 0 25 29 2 0 0 0 0 27 30 1 0 0 0 0 27 31 2 0 0 0 0 28 32 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 72 1 0 0 0 0 30 33 2 0 0 0 0 31 35 1 0 0 0 0 31 74 1 0 0 0 0 32 37 2 0 0 0 0 32 38 1 0 0 0 0 33 36 1 0 0 0 0 33 75 1 0 0 0 0 34 39 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 35 36 2 0 0 0 0 35 78 1 0 0 0 0 36 79 1 0 0 0 0 37 40 1 0 0 0 0 37 80 1 0 0 0 0 38 41 2 0 0 0 0 38 81 1 0 0 0 0 39 43 2 0 0 0 0 39 44 1 0 0 0 0 40 42 2 0 0 0 0 40 82 1 0 0 0 0 41 42 1 0 0 0 0 41 83 1 0 0 0 0 42 84 1 0 0 0 0 43 45 1 0 0 0 0 43 85 1 0 0 0 0 44 46 2 0 0 0 0 44 86 1 0 0 0 0 45 47 2 0 0 0 0 45 87 1 0 0 0 0 46 47 1 0 0 0 0 46 88 1 0 0 0 0 47 89 1 0 0 0 0 M END > 70247646 > 1 > 958 > 5 > 3 > 14 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAWAAAAAwYMGDAAAAAFgB9AAAHgAQCAAADTzhngY8zvLJlgCoAzX3XACCiCAxIiAI2aG+bJgONvbEtbuHeCjm9hHY6Af62fKOgAAAAAAKAAAAAAAAABQAAAAAAAAAAA== > benzyl (2S)-2-[[(2S,3S)-2-(2-benzyloxyphenyl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoate > (2S)-2-[[(2S,3S)-3-cyclohexyl-3-hydroxy-1-oxo-2-(2-phenylmethoxyphenyl)propyl]amino]-3-(1H-indol-3-yl)propanoic acid (phenylmethyl) ester > benzyl (2S)-2-[[(2S,3S)-3-cyclohexyl-3-hydroxy-2-(2-phenylmethoxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate > benzyl (2S)-2-[[(2S,3S)-3-cyclohexyl-3-hydroxy-2-(2-phenylmethoxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate > (phenylmethyl) (2S)-2-[[(2S,3S)-3-cyclohexyl-3-oxidanyl-2-(2-phenylmethoxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate > (2S)-2-[[(2S,3S)-2-(2-benzoxyphenyl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propionic acid benzyl ester > InChI=1S/C40H42N2O5/c43-38(30-18-8-3-9-19-30)37(33-21-11-13-23-36(33)46-26-28-14-4-1-5-15-28)39(44)42-35(40(45)47-27-29-16-6-2-7-17-29)24-31-25-41-34-22-12-10-20-32(31)34/h1-2,4-7,10-17,20-23,25,30,35,37-38,41,43H,3,8-9,18-19,24,26-27H2,(H,42,44)/t35-,37-,38-/m0/s1 > FJFBBYVCABLQRD-VRQIXWKPSA-N > 7.9 > 630.30937244 > C40H42N2O5 > 630.8 > C1CCC(CC1)C(C(C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OCC6=CC=CC=C6)O > C1CCC(CC1)[C@@H]([C@H](C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)OCC6=CC=CC=C6)O > 101 > 630.30937244 > 0 > 47 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 1 6 15 17 5 16 18 8 16 19 8 18 22 8 19 23 8 22 24 8 23 24 8 25 27 8 25 29 8 27 30 8 27 31 8 30 33 8 31 35 8 32 37 8 32 38 8 33 36 8 35 36 8 37 40 8 38 41 8 39 43 8 39 44 8 40 42 8 41 42 8 43 45 8 44 46 8 45 47 8 46 47 8 20 6 6 7 29 8 7 30 8 $$$$