40 41 0 0001 0 0 0 0 0999 V2000 17.2727 -7.9736 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 16.1129 -5.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 12.6542 -2.6717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 19.5508 -2.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 20.7106 -4.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.7576 -2.6924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 9.2162 -6.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -8.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 17.2727 -3.9972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 13.8140 -4.6599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 10.3553 -4.0179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 6.9174 -4.6806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.4587 -4.0179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 14.9531 -3.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.1129 -4.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.9531 -2.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 18.4118 -4.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.1129 -2.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.6542 -3.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 19.5508 -3.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4587 -6.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6185 -4.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.2727 -2.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.0922 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7576 -4.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 18.4118 -5.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6185 -6.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.5151 -4.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.2162 -4.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4587 -8.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2989 -6.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1391 -8.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 18.4118 -2.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.2520 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0564 -4.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2989 -8.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1391 -6.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 18.4118 -0.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.2727 -6.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.1336 -8.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 1 40 1 0 2 15 2 0 3 19 2 0 4 20 2 0 5 20 1 0 6 25 2 0 7 29 2 0 8 32 1 0 9 15 1 0 9 17 1 0 10 14 1 0 10 19 1 0 11 28 1 0 11 29 1 0 12 25 1 0 12 35 1 0 13 22 1 0 14 15 1 0 14 16 1 1 16 18 1 0 17 20 1 0 17 26 1 6 18 23 2 0 18 24 1 0 19 28 1 0 21 27 1 0 21 30 2 0 21 31 1 0 22 25 1 0 22 27 1 6 23 33 1 0 24 34 2 0 26 39 1 0 29 35 1 0 30 36 1 0 31 37 2 0 32 36 2 0 32 37 1 0 33 38 2 0 34 38 1 0 M END > InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1 > YFGBQHOOROIVKG-FKBYEOEOSA-N > 1/1/N:40,38,33,34,23,24,30,31,36,37,26,39,27,16,35,28,18,21,32,22,17,14,29,19,25,15,20,13,11,12,10,9,8,7,3,6,2,4,5,1/E:(3,4)(5,6)(7,8)(9,10)(38,39)/it:im/rA:40cSOOOOOOONNNNNCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:;;;;;;;;;;;;s10;d2s9s14;P14;s9;s16;d3s10;d4s5s17;;s13;d18;s18;d6s12s22;N17;s21N22;s11s19;d7s11;d21;s21;s8;s23;d24;s12s29;s30d32;d31s32;d33s34;s1s26;s1;/rC:17.2727,-7.9736,0;16.1129,-5.9854,0;12.6542,-2.6717,0;19.5508,-2.651,0;20.7106,-4.6392,0;5.7576,-2.6924,0;9.2162,-6.0061,0;0,-8.6778,0;17.2727,-3.9972,0;13.814,-4.6599,0;10.3553,-4.0179,0;6.9174,-4.6806,0;3.4587,-4.0179,0;14.9531,-3.9972,0;16.1129,-4.6599,0;14.9531,-2.6717,0;18.4118,-4.6599,0;16.1129,-2.0089,0;12.6542,-3.9972,0;19.5508,-3.9764,0;3.4587,-6.6895,0;4.6185,-4.6806,0;17.2727,-2.6717,0;16.0922,-.6835,0;5.7576,-4.0179,0;18.4118,-5.9854,0;4.6185,-6.0268,0;11.5151,-4.6806,0;9.2162,-4.6806,0;3.4587,-8.015,0;2.2989,-6.0061,0;1.1391,-8.015,0;18.4118,-2.0089,0;17.252,0,0;8.0564,-4.0179,0;2.2989,-8.6778,0;1.1391,-6.6895,0;18.4118,-.6627,0;17.2727,-6.6481,0;16.1336,-8.6363,0; > C27 H35 N5 O7 S > 573.6611 > S(C)CC[C@@H](C(O)=O)NC([C@H](CC1C=CC=CC=1)NC(CNC(CNC([C@H](CC1C=CC(=CC=1)O)N)=O)=O)=O)=O > 391597 $$$$