16746604 -OEChem-04232403032D 77 78 0 1 0 0 0 0 0999 V2000 8.8805 2.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8711 -2.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7216 3.8305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4064 -1.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 2.4923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7122 -1.3692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 3.0832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 2.1322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3942 1.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1863 2.1832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3453 0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5532 -0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6237 3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5043 -0.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9295 2.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3668 3.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2928 2.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9545 3.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 1.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8222 -2.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 2.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6632 -1.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7733 -3.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5132 -3.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 -2.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 3.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7746 1.1835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3080 0.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7256 1.7684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9649 0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4316 1.5100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9336 -0.1037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4669 -0.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1239 -0.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5906 0.2229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1064 3.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7817 3.4209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8276 4.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9520 4.3424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8320 2.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7077 2.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7536 2.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4153 4.3705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5397 4.4164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4938 3.5408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2514 -1.7841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5817 -3.8641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3629 -3.4660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9648 -2.6848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9235 -3.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3216 -4.5061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1028 -4.1081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7209 -2.2060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3228 -1.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5416 -1.8228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5965 3.5848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 3.5848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -3.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -3.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 3 18 2 0 0 0 0 4 22 2 0 0 0 0 5 25 2 0 0 0 0 6 31 2 0 0 0 0 13 7 1 6 0 0 0 7 22 1 0 0 0 0 7 48 1 0 0 0 0 8 17 1 0 0 0 0 8 25 1 0 0 0 0 8 58 1 0 0 0 0 9 24 1 0 0 0 0 9 30 1 0 0 0 0 9 68 1 0 0 0 0 10 29 1 0 0 0 0 10 30 2 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 70 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 18 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 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 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 24 29 2 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 31 1 0 0 0 0 30 69 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 36 1 0 0 0 0 33 71 1 0 0 0 0 34 37 2 0 0 0 0 34 72 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 73 1 0 0 0 0 37 74 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 M END > 16746604 > 1 > 814 > 7 > 4 > 14 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgAQAAAADGzBngQ32JbJlACoAyXzfACCgC23EqAJ2YGodMmKaDrA2bGfIYhslgLYyWedyAAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA== > tert-butyl (2S)-6-(tert-butoxycarbonylamino)-2-[[4-(p-tolylcarbamoyl)-1H-imidazole-5-carbonyl]amino]hexanoate > (2S)-2-[[[4-[(4-methylanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester > tert-butyl (2S)-2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate > tert-butyl (2S)-2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate > tert-butyl (2S)-2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazol-5-yl]carbonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate > (2S)-6-(tert-butoxycarbonylamino)-2-[[4-(p-tolylcarbamoyl)-1H-imidazole-5-carbonyl]amino]hexanoic acid tert-butyl ester > InChI=1S/C27H39N5O6/c1-17-11-13-18(14-12-17)31-22(33)20-21(30-16-29-20)23(34)32-19(24(35)37-26(2,3)4)10-8-9-15-28-25(36)38-27(5,6)7/h11-14,16,19H,8-10,15H2,1-7H3,(H,28,36)(H,29,30)(H,31,33)(H,32,34)/t19-/m0/s1 > VDBHGVMULPMSSJ-IBGZPJMESA-N > 3.9 > 529.29003398 > C27H39N5O6 > 529.6 > CC1=CC=C(C=C1)NC(=O)C2=C(NC=N2)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C > CC1=CC=C(C=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C > 152 > 529.29003398 > 0 > 38 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 29 8 10 30 8 24 29 8 32 33 8 32 34 8 33 36 8 34 37 8 35 36 8 35 37 8 13 7 6 9 24 8 9 30 8 $$$$