CDK 1018121544 51 54 0 0 0 0 0 0 0 0999 V2000 0.5319 -8.4021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3567 -8.4153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1093 -9.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7032 -9.0890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1303 -9.7850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7493 -9.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5388 -10.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9671 -9.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5715 -9.1554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7362 -10.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1628 -11.1901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7770 -11.9083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -12.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -13.3163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0102 -13.3425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2648 -14.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7847 -7.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3207 -9.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5076 -9.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0886 -10.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -10.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9352 -11.3091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 -8.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9222 -8.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3164 -7.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3527 -9.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9874 -11.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4213 -11.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7341 -13.1634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1047 -12.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4358 -12.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 -11.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8349 -11.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6258 -11.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8184 -12.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2221 -12.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -13.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2568 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0813 -13.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0756 -14.2720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2714 -14.7478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1981 -15.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0118 -15.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -14.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8148 -13.9030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9508 -13.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7236 -12.8002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3142 -12.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3666 -13.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1357 -13.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2407 -14.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24 26 1 0 0 0 0 12 13 1 0 0 0 0 11 27 1 1 0 0 0 13 14 1 0 0 0 0 27 28 1 0 0 0 0 28 32 1 0 0 0 0 14 15 1 0 0 0 0 1 3 1 0 0 0 0 31 29 1 0 0 0 0 29 30 1 0 0 0 0 30 28 2 0 0 0 0 1 2 1 0 0 0 0 15 16 1 0 0 0 0 31 32 2 0 0 0 0 6 9 1 0 0 0 0 32 33 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 6 18 2 0 0 0 0 35 36 2 0 0 0 0 36 31 1 0 0 0 0 8 9 1 0 0 0 0 13 37 2 0 0 0 0 3 19 2 0 0 0 0 14 38 1 1 0 0 0 3 4 1 0 0 0 0 38 39 1 0 0 0 0 10 20 2 0 0 0 0 40 16 1 1 0 0 0 4 5 1 0 0 0 0 16 41 2 0 0 0 0 40 42 1 0 0 0 0 7 21 2 0 0 0 0 10 11 1 0 0 0 0 7 22 1 0 0 0 0 11 12 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 4 23 1 1 0 0 0 45 46 1 0 0 0 0 5 10 1 0 0 0 0 47 46 1 1 0 0 0 23 24 1 0 0 0 0 46 48 2 0 0 0 0 47 22 1 0 0 0 0 6 2 1 0 0 0 0 47 49 1 0 0 0 0 24 25 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 6 0 0 0 M END > CHEBI:70208 > Tunicyclin C > A natural product found in Psammosilene tunicoides. > 2 > cyclo-(L-Pro-L-Ser-L-Trp-L-Leu-L-Ala-Gly-L-Thr) > C34H48N8O9 > 712.79310 > 712.35443 > 0 > CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC1=O)[C@@H](C)O > InChI=1S/C34H48N8O9/c1-17(2)12-23-30(47)37-18(3)29(46)36-15-27(45)41-28(19(4)44)34(51)42-11-7-10-26(42)33(50)40-25(16-43)32(49)39-24(31(48)38-23)13-20-14-35-22-9-6-5-8-21(20)22/h5-6,8-9,14,17-19,23-26,28,35,43-44H,7,10-13,15-16H2,1-4H3,(H,36,46)(H,37,47)(H,38,48)(H,39,49)(H,40,50)(H,41,45)/t18-,19+,23-,24-,25-,26-,28-/m0/s1 > WKYUAYAMTGFDMV-VAFKGHBQSA-N > 21070025 $$$$