69289215 -OEChem-05142411472D 70 74 0 0 0 0 0 0 0999 V2000 11.0848 -2.0912 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.5903 -1.1206 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -1.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 3.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2610 1.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1228 2.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 -4.5533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 -1.5533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9305 0.5345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 1.3469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 -2.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -3.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -3.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -4.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -4.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 -5.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -6.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -6.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 1.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8815 0.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6215 1.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8597 0.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2092 2.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6028 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4689 0.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 3.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3824 -0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 4.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2484 0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 4.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 5.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9916 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5848 -1.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 5.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 6.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7924 -2.2433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1774 -2.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7788 -3.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3335 -2.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7788 -3.9456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1774 -4.6359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3335 -4.6359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.9456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 -6.1733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7185 -1.2433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0794 -5.5164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8525 -6.3633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 -6.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8115 -6.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6584 -6.3633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4315 -5.5164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7228 0.3429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4998 -0.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9140 0.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 1.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 -0.8523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2064 3.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8512 2.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3132 0.9741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 3.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 4.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5980 -0.1827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 5.3091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 6.4504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 6.6197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 30 1 0 0 0 0 2 36 1 0 0 0 0 3 19 2 0 0 0 0 4 26 1 0 0 0 0 4 29 1 0 0 0 0 5 10 1 0 0 0 0 5 28 1 0 0 0 0 6 26 2 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 19 1 0 0 0 0 8 50 1 0 0 0 0 9 20 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 25 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 49 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 24 1 0 0 0 0 21 57 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 25 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 61 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 32 2 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 32 64 1 0 0 0 0 33 37 1 0 0 0 0 33 65 1 0 0 0 0 34 38 2 0 0 0 0 34 66 1 0 0 0 0 35 36 2 0 0 0 0 35 67 1 0 0 0 0 37 39 2 0 0 0 0 37 68 1 0 0 0 0 38 39 1 0 0 0 0 38 69 1 0 0 0 0 39 70 1 0 0 0 0 M END > 69289215 > 1 > 823 > 7 > 1 > 10 > AAADceB7uABEAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAAAB/AAAHgYUAAAADC7h3iYyjZPcFAitA6XyXgSDgKAnLzBo2Lm+btoKZvrh97uXMYhm1hn46ce82aMeAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > benzyl 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-[(1-isopropyl-4-piperidyl)carbamoyl]pyrrole-2-carboxylate > 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-5-[oxo-[(1-propan-2-yl-4-piperidinyl)amino]methyl]-2-pyrrolecarboxylic acid (phenylmethyl) ester > benzyl 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]pyrrole-2-carboxylate > benzyl 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]pyrrole-2-carboxylate > (phenylmethyl) 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]pyrrole-2-carboxylate > 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-[(1-isopropyl-4-piperidyl)carbamoyl]pyrrole-2-carboxylic acid benzyl ester > InChI=1S/C29H31ClN4O4S/c1-19(2)33-14-12-21(13-15-33)31-28(35)23-8-9-24(29(36)37-18-20-6-4-3-5-7-20)34(23)17-22-16-25(38-32-22)26-10-11-27(30)39-26/h3-11,16,19,21H,12-15,17-18H2,1-2H3,(H,31,35) > OGXXOEZIAGFLDL-UHFFFAOYSA-N > 5.8 > 566.1754544 > C29H31ClN4O4S > 567.1 > CC(C)N1CCC(CC1)NC(=O)C2=CC=C(N2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)OCC5=CC=CC=C5 > CC(C)N1CCC(CC1)NC(=O)C2=CC=C(N2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)OCC5=CC=CC=C5 > 118 > 566.1754544 > 0 > 39 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 25 8 2 30 8 2 36 8 20 21 8 21 24 8 22 24 8 25 27 8 27 28 8 30 32 8 31 33 8 31 34 8 32 35 8 33 37 8 34 38 8 35 36 8 37 39 8 38 39 8 5 10 8 5 28 8 9 20 8 9 22 8 $$$$