CDK 1018121544 52 55 0 0 0 0 0 0 0 0999 V2000 10.6402 1.5562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4651 1.5431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2176 0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4051 0.8693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9780 0.1733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8576 0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6471 -0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0754 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6799 0.8030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3722 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9455 -1.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3313 -1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9043 -2.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2875 -3.3579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0982 -3.3842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3732 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8930 2.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7178 2.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4962 2.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4291 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6159 0.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1969 -0.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8224 -0.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0435 -1.3508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0109 1.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1862 1.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 2.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7556 0.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1209 -1.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6870 -1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3743 -3.2050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0037 -2.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6725 -2.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8683 -1.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2735 -1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4826 -1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2899 -2.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8862 -3.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -3.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8515 -4.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0270 -4.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1839 -4.3136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8369 -4.7894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3065 -5.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1201 -5.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5013 -4.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9232 -3.9446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0592 -3.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8319 -2.8419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4225 -2.6063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4750 -3.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2441 -3.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 13 1 0 0 0 0 26 27 1 0 0 0 0 13 14 1 0 0 0 0 26 28 1 0 0 0 0 14 15 1 0 0 0 0 11 29 2 0 0 0 0 1 3 1 0 0 0 0 29 30 1 0 0 0 0 30 34 1 0 0 0 0 1 2 1 0 0 0 0 15 16 1 0 0 0 0 33 31 1 0 0 0 0 31 32 1 0 0 0 0 32 30 2 0 0 0 0 6 9 1 0 0 0 0 2 17 1 1 0 0 0 33 34 2 0 0 0 0 7 8 1 0 0 0 0 34 35 1 0 0 0 0 17 18 1 0 0 0 0 35 36 2 0 0 0 0 8 9 1 0 0 0 0 36 37 1 0 0 0 0 17 19 1 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 3 4 1 0 0 0 0 13 39 2 0 0 0 0 6 20 2 0 0 0 0 14 40 1 1 0 0 0 4 5 1 0 0 0 0 40 41 1 0 0 0 0 3 21 2 0 0 0 0 42 16 1 1 0 0 0 10 11 1 0 0 0 0 16 43 2 0 0 0 0 42 44 1 0 0 0 0 10 22 2 0 0 0 0 11 12 1 0 0 0 0 7 23 2 0 0 0 0 5 10 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 7 24 1 0 0 0 0 47 48 1 0 0 0 0 6 2 1 0 0 0 0 48 49 1 0 0 0 0 4 25 1 1 0 0 0 48 50 2 0 0 0 0 49 24 1 0 0 0 0 49 51 1 1 0 0 0 25 26 1 0 0 0 0 51 52 1 0 0 0 0 M END > CHEBI:70207 > Tunicyclin B > A natural product found in Psammosilene tunicoides. > 2 > cyclo-(L-Pro-L-Ser-deltaZ-Trp-L-Leu-L-Val-Gly-L-Ser) > C35H48N8O9 > 724.80380 > 724.35443 > 0 > CC(C)C[C@@H]1NC(=O)\C(NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC1=O)C(C)C)=C\c1c[nH]c2ccccc12 > InChI=1S/C35H48N8O9/c1-18(2)12-23-31(48)42-29(19(3)4)34(51)37-15-28(46)38-26(17-45)35(52)43-11-7-10-27(43)33(50)41-25(16-44)32(49)40-24(30(47)39-23)13-20-14-36-22-9-6-5-8-21(20)22/h5-6,8-9,13-14,18-19,23,25-27,29,36,44-45H,7,10-12,15-17H2,1-4H3,(H,37,51)(H,38,46)(H,39,47)(H,40,49)(H,41,50)(H,42,48)/b24-13-/t23-,25-,26-,27-,29-/m0/s1 > GLZHBDNWBMMQBD-BKTPBXFMSA-N > 21070025 $$$$