2162 Marvin 12300703363D 53 54 0 0 1 0 999 V2000 3.0383 -0.0897 -0.4861 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2295 -2.2666 2.6471 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 1.7468 0.4093 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6611 0.1654 -4.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 1.1201 1.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -1.4260 -3.6214 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1479 -2.2828 -0.2632 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0609 -3.5036 6.1606 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0668 0.2122 -1.3091 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5839 -0.0455 0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4371 -0.9687 -2.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6347 -1.3324 0.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3205 -2.1893 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 1.4007 -1.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2405 -1.8192 1.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0332 0.9830 0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6486 -3.5023 -2.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -0.7637 -3.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 1.3363 -0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3306 2.6744 -1.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0399 2.5004 -0.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1131 3.8397 -1.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4747 3.7490 -1.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6971 -2.5726 3.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7003 2.6483 1.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4293 -3.1986 4.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2348 0.7886 -5.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0636 3.8095 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9776 0.4673 -1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1405 -3.1385 0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9218 -2.6441 1.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8801 -1.0688 2.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 -4.1829 -1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4996 -3.9323 -1.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8805 -3.5151 -3.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 2.7836 -1.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0383 2.4605 -0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6932 4.7489 -1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0521 4.5923 -1.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0286 -1.6506 4.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5378 -3.2725 3.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6168 2.1213 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2695 3.0668 1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.5098 4.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 -4.1243 4.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2306 1.8589 -4.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6566 0.6046 -5.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2716 0.4945 -5.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8305 4.4345 0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1873 4.4295 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 3.4337 -0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7297 -3.8536 6.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3483 -2.6173 6.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 15 1 0 0 0 0 2 24 1 0 0 0 0 3 16 1 0 0 0 0 3 25 1 0 0 0 0 4 18 1 0 0 0 0 4 27 1 0 0 0 0 5 16 2 0 0 0 0 6 18 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 30 1 0 0 0 0 8 26 1 0 0 0 0 8 52 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 29 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 14 20 2 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 28 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 M END > 14 19 8 14 20 8 19 21 8 20 22 8 21 23 8 22 23 8 9 14 3 > InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1 > HTIQEAQVCYTUBX-KRWDZBQOSA-N > 1/0/N:28,17,27,25,22,23,20,21,26,24,15,13,14,19,12,11,9,10,18,16,1,8,7,6,5,4,2,3/it:im/rA:53cClOOOOONNCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s7d10;s7d11;s9;s2s12;s3d5s10;s13;s4d6s11;s1s14;d14;d19;s20;s21d22;s2;s3;s8s24;s4;s25;s9;s7;s15;s15;s17;s17;s17;s20;s21;s22;s23;s24;s24;s25;s25;s26;s26;s27;s27;s27;s28;s28;s28;s8;s8;/rC:3.0383,-.0897,-.4861;-.2295,-2.2666,2.6471;-1.911,1.7468,.4093;.6611,.1654,-4.042;-.562,1.1201,1.969;2.011,-1.426,-3.6214;-.1479,-2.2828,-.2632;-.0609,-3.5036,6.1606;-.0668,.2122,-1.3091;-.5839,-.0455,.0611;.4371,-.9687,-2.0741;-.6347,-1.3324,.4897;.3205,-2.1893,-1.483;.865,1.4007,-1.3017;-1.2405,-1.8192,1.7276;-1.0332,.983,.8446;.6486,-3.5023,-2.0342;1.031,-.7637,-3.2982;2.2429,1.3363,-.9512;.3306,2.6744,-1.6326;3.0399,2.5004,-.9659;1.1131,3.8397,-1.5979;2.4747,3.749,-1.2737;-.6971,-2.5726,3.9721;-2.7003,2.6483,1.0108;.4293,-3.1986,4.8125;1.2348,.7886,-5.0811;-3.0636,3.8095,.068;-.9776,.4673,-1.8658;-.1405,-3.1385,.1174;-1.9218,-2.6441,1.4963;-1.8801,-1.0688,2.1992;-.2006,-4.1829,-1.9302;1.4996,-3.9323,-1.5014;.8805,-3.5151,-3.0976;-.654,2.7836,-1.8894;4.0383,2.4605,-.7462;.6932,4.7489,-1.8056;3.0521,4.5923,-1.2587;-1.0286,-1.6506,4.4592;-1.5378,-3.2725,3.938;-3.6168,2.1213,1.286;-2.2695,3.0668,1.9261;1.273,-2.5098,4.8885;.7741,-4.1243,4.3476;1.2306,1.8589,-4.8739;.6566,.6046,-5.9865;2.2716,.4945,-5.2669;-3.8305,4.4345,.5303;-2.1873,4.4295,-.1293;-3.4519,3.4337,-.8805;.7297,-3.8536,6.7043;-.3483,-2.6173,6.5819; > C20 H25 Cl N2 O5 > 408.8759 > ClC1=C([H])C([H])=C([H])C([H])=C1[C@@]1([H])C(C(=O)OC([H])([H])[H])=C(C([H])([H])[H])N([H])C(C([H])([H])OC([H])([H])C([H])([H])N([H])[H])=C1C(=O)OC([H])([H])C([H])([H])[H] > 2077 $$$$