44396866 -OEChem-04192405042D 82 87 0 1 0 0 0 0 0999 V2000 9.3614 7.8084 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.9786 6.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1329 16.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 6.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0268 14.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5188 14.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9029 16.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9184 2.4200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1515 5.1549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 13.0026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6624 10.7021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3294 3.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 4.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3245 3.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9234 2.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5024 1.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1565 5.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7355 4.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5124 1.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0913 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5626 6.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2509 12.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 11.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6478 12.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1169 14.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0269 14.5095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0417 11.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2509 14.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6165 10.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1169 13.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 14.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2179 9.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5169 13.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2348 15.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2478 9.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0350 15.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6207 10.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 7.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7632 8.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8944 8.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4624 7.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0069 12.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2027 9.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6915 2.8283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2331 4.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3127 3.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2783 2.8132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9253 3.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 2.9385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3225 2.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0147 1.2591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9352 2.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2027 5.6733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5557 5.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2479 3.9940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1683 4.7870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0796 0.9646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0452 0.0783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6922 0.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5378 0.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2644 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2824 12.8364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 12.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6539 12.6926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9872 13.2337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9964 14.0307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0168 16.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6257 15.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6716 11.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 10.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 8.6107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5102 8.9614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 7.4012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4736 13.0937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6907 12.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5402 12.4614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3306 13.9574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6394 9.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9435 8.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7659 9.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 22 1 0 0 0 0 2 39 1 0 0 0 0 3 35 1 0 0 0 0 3 37 1 0 0 0 0 4 22 2 0 0 0 0 27 5 1 1 0 0 0 5 79 1 0 0 0 0 6 32 2 0 0 0 0 7 37 2 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 25 1 0 0 0 0 10 32 1 0 0 0 0 11 28 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 45 1 0 0 0 0 13 17 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 18 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 19 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 20 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 21 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 23 28 1 0 0 0 0 23 31 2 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 30 2 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 26 29 2 0 0 0 0 26 31 1 0 0 0 0 27 34 1 0 0 0 0 27 37 1 0 0 0 0 29 32 1 0 0 0 0 29 35 1 0 0 0 0 30 33 1 0 0 0 0 30 38 1 0 0 0 0 31 66 1 0 0 0 0 33 36 2 0 0 0 0 33 40 1 0 0 0 0 34 43 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 41 1 0 0 0 0 38 44 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 39 40 2 0 0 0 0 39 42 1 0 0 0 0 40 73 1 0 0 0 0 41 42 2 0 0 0 0 41 74 1 0 0 0 0 42 75 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 M CHG 1 1 -1 M END > 44396866 > 1 > 1200 > 9 > 1 > 5 > AAADcfB/uAAEAAAAAAAAAAAAAAAAAWAAAAA8WLECAAAAAFix8AAAHgAACAAADGzhngYyzvMIFgCoAyXyXAKCiCAhIiAImCF+bNgNZvbE8Zuecihm5hHL+QewwPAOgEABAAACAAAAgAIAAAQAAAAAAAAAAA== > [(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-(1-piperidyl)piperidine-1-carboxylate;chloride > 4-(1-piperidinyl)-1-piperidinecarboxylic acid [(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] ester;chloride > [(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate;chloride > [(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate;chloride > [(19S)-10,19-diethyl-19-oxidanyl-14,18-bis(oxidanylidene)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate;chloride > 4-piperidinopiperidine-1-carboxylic acid [(19S)-10,19-diethyl-19-hydroxy-14,18-diketo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] ester;chloride > InChI=1S/C33H38N4O6.ClH/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H/p-1/t33-;/m0./s1 > GURKHSYORGJETM-WAQYZQTGSA-M > 621.2479876 > C33H38ClN4O6- > 622.1 > CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.[Cl-] > CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.[Cl-] > 113 > 621.2479876 > -1 > 44 > 1 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 23 8 10 32 8 11 28 8 11 36 8 23 31 8 24 28 8 24 30 8 26 29 8 26 31 8 29 32 8 30 33 8 33 36 8 33 40 8 36 41 8 39 40 8 39 42 8 41 42 8 27 5 5 $$$$