36 37 0 0001 0 0 0 0 0999 V2000 5.7518 -4.6309 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 4.6014 -3.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.9611 -5.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 8.0525 -0.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 9.1881 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 11.4888 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 14.7481 -7.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.8874 -3.9672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 9.1881 -2.6547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 8.0525 -5.9582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.3007 -2.6399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.1504 -0.6489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 5.7370 -5.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8874 -6.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8874 -7.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8874 -2.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0525 -1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5867 -6.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.3384 -1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7370 -8.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0377 -8.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5867 -7.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.2028 -7.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.1881 -3.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.2028 -6.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7518 -1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.4888 -2.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.3384 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.4888 -3.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.3237 -4.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6014 -2.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.3384 -8.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.6244 -4.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4511 -1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1504 -1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 2 0 1 8 1 0 1 14 1 0 4 18 2 0 5 29 2 0 6 29 1 0 17 8 1 1 9 18 1 0 9 20 1 0 9 25 1 0 10 15 1 0 10 26 1 0 11 35 1 0 11 36 1 0 12 36 2 3 13 36 1 0 14 15 1 0 14 19 2 0 15 16 2 0 16 21 1 0 16 22 1 0 17 18 1 0 17 27 1 0 19 23 1 0 20 28 1 0 20 29 1 1 21 23 2 0 22 24 1 0 24 26 1 0 24 33 1 0 25 31 1 0 27 32 1 0 28 30 1 0 30 31 1 0 30 34 1 6 32 35 1 0 M END > InChI=1S/C23H36N6O5S.H2O/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19;/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26);1H2/t14-,15?,17+,18-;/m1./s1 > AIEZTKLTLCMZIA-CZSXTPSTSA-N > 1/1/N:34,33,23,32,21,27,19,31,35,25,22,28,26,30,24,16,17,20,14,15,18,29,36,12,13,11,10,8,9,4,5,6,2,3,1;7/E:(24,25)(31,32)(33,34);/it:im;/CRV:35.6;/rA:36cSOOOOOONNNNNNCCCCCCCCCCCCCCCCCCCCCCC/rB:d1;d1;;;;;s1;;;;;;s1;s10s14;d15;p8;d4s9s17;d14;s9;s16;s16;s19d21;s22;s9;s10s24;s17;s20;d5s6P20;s28;s25s30;s27;s24;N30;s11s32;s11w12s13;/rC:5.7518,-4.6309,0;4.6014,-3.9672,0;6.9611,-5.383,0;8.0525,-.6637,0;9.1881,0,0;11.4888,0,0;14.7481,-7.0201,0;6.8874,-3.9672,0;9.1881,-2.6547,0;8.0525,-5.9582,0;2.3007,-2.6399,0;1.1504,-.6489,0;0,-2.6399,0;5.737,-5.9582,0;6.8874,-6.6366,0;6.8874,-7.964,0;6.8874,-2.6547,0;8.0525,-1.9762,0;4.5867,-6.6366,0;10.3384,-1.9762,0;5.737,-8.6276,0;8.0377,-8.6276,0;4.5867,-7.964,0;9.2028,-7.9787,0;9.1881,-3.9672,0;9.2028,-6.6366,0;5.7518,-1.9762,0;11.4888,-2.6547,0;10.3384,-.6637,0;11.4888,-3.9672,0;10.3237,-4.6309,0;4.6014,-2.6399,0;10.3384,-8.6424,0;12.6244,-4.6456,0;3.4511,-1.9762,0;1.1504,-1.9762,0; > C23 H38 N6 O6 S > 526.6494 > S(C1=CC=CC2CC(C)CNC1=2)(N[C@@H](CCCNC(N)=N)C(N1CC[C@@H](C)C[C@@H]1C(O)=O)=O)(=O)=O.O > 83701 $$$$