70248568 -OEChem-04262403542D 82 86 0 1 0 0 0 0 0999 V2000 7.5673 0.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 0.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 3.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -2.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.2233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 1.6778 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8529 4.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 3.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 4.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 1.4715 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2531 2.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 0.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 2.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.1738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6067 2.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 1.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6282 2.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9854 0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3176 1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2496 4.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -2.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -1.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -2.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 -1.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -2.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2171 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6034 2.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9953 3.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1597 2.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2092 2.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8024 2.7472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5061 1.8056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8323 4.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2391 4.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0462 3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8818 4.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 4.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6002 5.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3350 1.0101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 2.5435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0218 2.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1739 1.0613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 -0.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -0.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.7604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3780 0.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2142 3.0092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7928 0.2636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7109 1.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 4.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8355 4.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7881 4.0347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7553 -2.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5129 -3.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1567 -0.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7354 -3.5836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7419 -0.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3206 -3.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8238 -1.7097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 58 1 0 0 0 0 2 17 2 0 0 0 0 3 20 1 0 0 0 0 3 32 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 19 6 1 6 0 0 0 6 59 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 7 68 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 43 1 0 0 0 0 9 12 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 13 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 15 1 0 0 0 0 11 48 1 0 0 0 0 12 14 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 55 1 0 0 0 0 16 18 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 19 24 1 0 0 0 0 19 60 1 0 0 0 0 20 25 2 0 0 0 0 21 26 1 0 0 0 0 21 63 1 0 0 0 0 22 23 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 28 1 0 0 0 0 23 29 2 0 0 0 0 25 27 1 0 0 0 0 25 64 1 0 0 0 0 26 27 2 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 28 30 1 0 0 0 0 28 31 2 0 0 0 0 29 67 1 0 0 0 0 30 33 2 0 0 0 0 31 35 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 36 1 0 0 0 0 33 73 1 0 0 0 0 34 37 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 35 36 2 0 0 0 0 35 76 1 0 0 0 0 36 77 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 78 1 0 0 0 0 39 41 2 0 0 0 0 39 79 1 0 0 0 0 40 42 2 0 0 0 0 40 80 1 0 0 0 0 41 42 1 0 0 0 0 41 81 1 0 0 0 0 42 82 1 0 0 0 0 M END > 70248568 > 1 > 841 > 5 > 3 > 13 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFgB9AAAHgAQCAAADTzhngY+zvLJlgCoAzX3XACCiCAxIiAI2aG+bJgONvbEsbuHcChm9hHY6AeY/f7OgAAAAAAKAAAAAAAAABQAAAAAAAAAAA== > benzyl (2S)-2-[[3-cyclohexyl-3-hydroxy-2-[(2-methoxyphenyl)methyl]propanoyl]amino]-3-(1H-indol-3-yl)propanoate > (2S)-2-[[3-cyclohexyl-3-hydroxy-2-[(2-methoxyphenyl)methyl]-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid (phenylmethyl) ester > benzyl (2S)-2-[[3-cyclohexyl-3-hydroxy-2-[(2-methoxyphenyl)methyl]propanoyl]amino]-3-(1H-indol-3-yl)propanoate > benzyl (2S)-2-[[3-cyclohexyl-3-hydroxy-2-[(2-methoxyphenyl)methyl]propanoyl]amino]-3-(1H-indol-3-yl)propanoate > (phenylmethyl) (2S)-2-[[3-cyclohexyl-2-[(2-methoxyphenyl)methyl]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoate > (2S)-2-[(3-cyclohexyl-3-hydroxy-2-o-anisyl-propanoyl)amino]-3-(1H-indol-3-yl)propionic acid benzyl ester > InChI=1S/C35H40N2O5/c1-41-32-19-11-8-16-26(32)20-29(33(38)25-14-6-3-7-15-25)34(39)37-31(35(40)42-23-24-12-4-2-5-13-24)21-27-22-36-30-18-10-9-17-28(27)30/h2,4-5,8-13,16-19,22,25,29,31,33,36,38H,3,6-7,14-15,20-21,23H2,1H3,(H,37,39)/t29?,31-,33?/m0/s1 > RPQANHKFZFLXBS-KHKHLKIQSA-N > 6.7 > 568.29372238 > C35H40N2O5 > 568.7 > COC1=CC=CC=C1CC(C(C2CCCCC2)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5 > COC1=CC=CC=C1CC(C(C2CCCCC2)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5 > 101 > 568.29372238 > 0 > 42 > 1 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 1 3 15 16 3 18 20 8 18 21 8 20 25 8 21 26 8 23 28 8 23 29 8 25 27 8 26 27 8 28 30 8 28 31 8 30 33 8 31 35 8 33 36 8 35 36 8 37 38 8 37 39 8 38 40 8 39 41 8 40 42 8 41 42 8 19 6 6 7 29 8 7 30 8 $$$$