71305069 -OEChem-05092401172D 95 99 0 1 0 0 0 0 0999 V2000 4.3709 -4.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -6.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6626 -3.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2112 -4.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5385 -1.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3485 -1.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1988 4.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -6.8605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1955 -3.0836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3698 -2.2669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8156 -1.9108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3328 0.2567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.2510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4883 -4.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3855 -3.6700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2619 -6.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 -3.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1084 -3.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9184 -2.9055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 -6.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 -1.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8312 -3.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5228 -0.3297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6256 -1.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6100 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -0.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5072 1.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4414 -0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1642 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2457 -0.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3172 1.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5943 1.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0557 0.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2144 2.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4915 2.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3386 0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0614 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3016 3.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1486 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9686 0.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2859 4.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1831 5.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2703 5.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9931 6.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1675 6.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8903 7.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9775 7.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7591 -5.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0846 -4.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3218 -3.0532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -7.4498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1318 -2.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7866 -3.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.6758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3524 -2.6524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8721 -1.9034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2496 -1.6576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8386 -1.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 -2.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5781 -3.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3972 -3.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0844 -2.7479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0888 -0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9916 0.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4590 -0.5227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2691 0.8734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9391 -0.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7302 -0.5307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8832 1.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0921 1.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4033 0.9481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6105 0.8662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7166 3.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9256 2.7295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7726 0.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5636 1.0807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0848 1.7422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7154 -0.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5345 -0.2267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2217 0.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6675 4.5100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1349 3.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 5.5052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5591 5.7937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6015 7.1166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3926 7.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9138 8.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 1 0 0 0 1 59 1 0 0 0 0 2 17 2 0 0 0 0 3 20 2 0 0 0 0 4 22 2 0 0 0 0 5 29 2 0 0 0 0 6 35 2 0 0 0 0 7 43 1 0 0 0 0 7 46 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 56 1 0 0 0 0 16 9 1 1 0 0 0 9 22 1 0 0 0 0 9 58 1 0 0 0 0 10 20 1 0 0 0 0 10 26 1 0 0 0 0 10 64 1 0 0 0 0 24 11 1 1 0 0 0 11 29 1 0 0 0 0 11 65 1 0 0 0 0 28 12 1 6 0 0 0 12 35 1 0 0 0 0 12 74 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 16 55 1 0 0 0 0 18 21 2 0 0 0 0 19 23 1 0 0 0 0 19 57 1 0 0 0 0 21 25 1 0 0 0 0 21 60 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 61 1 0 0 0 0 24 27 1 0 0 0 0 24 62 1 0 0 0 0 25 63 1 0 0 0 0 26 31 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 71 1 0 0 0 0 30 32 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 36 2 0 0 0 0 32 37 1 0 0 0 0 33 41 1 0 0 0 0 33 75 1 0 0 0 0 34 42 2 0 0 0 0 34 76 1 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 36 77 1 0 0 0 0 37 40 2 0 0 0 0 37 78 1 0 0 0 0 38 45 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 43 2 0 0 0 0 39 81 1 0 0 0 0 40 43 1 0 0 0 0 40 82 1 0 0 0 0 41 44 2 0 0 0 0 41 83 1 0 0 0 0 42 44 1 0 0 0 0 42 84 1 0 0 0 0 44 85 1 0 0 0 0 45 86 1 0 0 0 0 45 87 1 0 0 0 0 45 88 1 0 0 0 0 46 47 1 0 0 0 0 46 89 1 0 0 0 0 46 90 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 48 91 1 0 0 0 0 49 51 2 0 0 0 0 49 92 1 0 0 0 0 50 52 2 0 0 0 0 50 93 1 0 0 0 0 51 52 1 0 0 0 0 51 94 1 0 0 0 0 52 95 1 0 0 0 0 M END > 71305069 > 1 > 1210 > 7 > 6 > 16 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFgBVAAAHgAQCAAADGzhmAYyxoLABgCIAiVSUAKCCAAhIgAIiIHObIgOZjLEtbuWeCjm1hHY+Ae+y+COoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-N-[(1S)-2-[[(1S)-2-(benzylamino)-1-[[(3R)-3-hydroxy-2-oxo-indolin-3-yl]methyl]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-3-(4-benzyloxyphenyl)-2-(propanoylamino)propanamide > (2S)-N-[(2S)-1-[[(2S)-3-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]-2-(1-oxopropylamino)-3-(4-phenylmethoxyphenyl)propanamide > (2S)-N-[(2S)-1-[[(2S)-1-(benzylamino)-3-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-phenylmethoxyphenyl)-2-(propanoylamino)propanamide > (2S)-N-[(2S)-1-[[(2S)-1-(benzylamino)-3-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-phenylmethoxyphenyl)-2-(propanoylamino)propanamide > (2S)-N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3R)-3-oxidanyl-2-oxidanylidene-1H-indol-3-yl]-1-[(phenylmethyl)amino]propan-2-yl]amino]propan-2-yl]-3-(4-phenylmethoxyphenyl)-2-(propanoylamino)propanamide > (2S)-3-(4-benzoxyphenyl)-N-[(1S)-2-[[(1S)-2-(benzylamino)-1-[[(3R)-3-hydroxy-2-keto-indolin-3-yl]methyl]-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]-2-propionamido-propionamide > InChI=1S/C40H43N5O7/c1-3-35(46)43-33(22-27-18-20-30(21-19-27)52-25-29-14-8-5-9-15-29)38(49)42-26(2)36(47)44-34(37(48)41-24-28-12-6-4-7-13-28)23-40(51)31-16-10-11-17-32(31)45-39(40)50/h4-21,26,33-34,51H,3,22-25H2,1-2H3,(H,41,48)(H,42,49)(H,43,46)(H,44,47)(H,45,50)/t26-,33-,34-,40+/m0/s1 > UPCQGZMTNDPEIQ-FJNZMQIUSA-N > 4.2 > 705.31624873 > C40H43N5O7 > 705.8 > CCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CC3(C4=CC=CC=C4NC3=O)O)C(=O)NCC5=CC=CC=C5 > CCC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]3(C4=CC=CC=C4NC3=O)O)C(=O)NCC5=CC=CC=C5 > 175 > 705.31624873 > 0 > 52 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 1 5 24 11 5 28 12 6 15 18 8 15 19 8 18 21 8 19 23 8 21 25 8 23 25 8 31 33 8 31 34 8 32 36 8 32 37 8 33 41 8 34 42 8 36 39 8 37 40 8 39 43 8 40 43 8 41 44 8 42 44 8 47 48 8 47 49 8 48 50 8 49 51 8 50 52 8 51 52 8 16 9 5 $$$$