20801234 -OEChem-03292407122D 66 70 0 0 0 0 0 0 0999 V2000 2.0000 -4.1958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7794 -4.0994 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8421 3.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3421 3.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3421 -2.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2458 -5.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8421 2.2174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3421 -0.3807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2585 -2.0514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1110 -4.7240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8421 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3421 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8421 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8421 2.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3421 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3421 3.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8421 -1.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8421 -1.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3421 4.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3123 -1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2585 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3123 -0.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5692 -3.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8421 5.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2082 5.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4761 4.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4463 -2.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4463 -0.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9014 -3.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5803 -1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5803 -0.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9066 -3.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5015 -4.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5237 -4.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1186 -5.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1238 -5.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9142 -4.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5321 -0.0516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8171 0.9529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8171 1.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2595 0.2733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9498 -0.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4248 2.4295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7345 2.8280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8672 1.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8672 0.9529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9621 -0.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4511 0.1474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9518 -3.4898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 -2.7099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3791 5.9915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5321 6.2185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3052 5.3715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5182 4.7786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7451 5.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8982 5.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1661 4.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9392 4.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7861 3.7786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4463 -2.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4463 0.3733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0433 -2.0567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0433 -0.4367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5957 -3.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4295 -6.2179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7098 -6.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 34 1 0 0 0 0 2 37 1 0 0 0 0 3 16 1 0 0 0 0 3 19 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 10 1 0 0 0 0 6 33 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 8 47 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 9 23 1 0 0 0 0 10 29 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 38 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 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 17 18 1 0 0 0 0 18 21 2 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 20 22 1 0 0 0 0 20 27 2 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 28 2 0 0 0 0 23 29 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 30 1 0 0 0 0 27 60 1 0 0 0 0 28 31 1 0 0 0 0 28 61 1 0 0 0 0 29 32 1 0 0 0 0 30 31 2 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 2 0 0 0 0 32 64 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 65 1 0 0 0 0 36 37 2 0 0 0 0 36 66 1 0 0 0 0 M END > 20801234 > 1 > 821 > 6 > 1 > 7 > AAADceB7uABEAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAFgB/gAAHgYUAAAADG7B3iQyzfPcFAitA6VyXgCDgKAnLzBo2Lm+btoIZvrh17OcMYhm1hnoyce8iYCeAAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > tert-butyl 4-[[1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]indole-2-carbonyl]amino]piperidine-1-carboxylate > 4-[[[1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-2-indolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid tert-butyl ester > tert-butyl 4-[[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indole-2-carbonyl]amino]piperidine-1-carboxylate > tert-butyl 4-[[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indole-2-carbonyl]amino]piperidine-1-carboxylate > tert-butyl 4-[[1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl]carbonylamino]piperidine-1-carboxylate > 4-[[1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]indole-2-carbonyl]amino]piperidine-1-carboxylic acid tert-butyl ester > InChI=1S/C27H29ClN4O4S/c1-27(2,3)35-26(34)31-12-10-18(11-13-31)29-25(33)21-14-17-6-4-5-7-20(17)32(21)16-19-15-22(36-30-19)23-8-9-24(28)37-23/h4-9,14-15,18H,10-13,16H2,1-3H3,(H,29,33) > PQCFVWGYYKCUOX-UHFFFAOYSA-N > 5.5 > 540.1598043 > C27H29ClN4O4S > 541.1 > CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C2=CC3=CC=CC=C3N2CC4=NOC(=C4)C5=CC=C(S5)Cl > CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C2=CC3=CC=CC=C3N2CC4=NOC(=C4)C5=CC=C(S5)Cl > 118 > 540.1598043 > 0 > 37 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 29 8 18 21 8 2 34 8 2 37 8 20 22 8 20 27 8 21 22 8 22 28 8 27 30 8 28 31 8 29 32 8 30 31 8 32 33 8 34 35 8 35 36 8 36 37 8 6 10 8 6 33 8 9 18 8 9 20 8 $$$$