Mrv1652304282200322D 44 47 0 0 1 0 999 V2000 1.9097 0.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4839 1.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8957 1.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7314 2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1243 1.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7399 0.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9493 1.3095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3661 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4854 2.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3412 2.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0853 2.0857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5027 1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3009 1.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5114 0.4686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1542 -0.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5035 -0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8696 -1.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -1.0001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8860 -0.8285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1847 -0.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4735 -1.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0255 -2.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -1.8206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4937 -2.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2081 -1.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4937 -3.0581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7792 -3.4706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7792 -4.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0647 -4.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0647 -3.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2081 -3.4706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9226 -3.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9226 -2.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6371 -3.4706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3515 -3.0581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0660 -3.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7805 -3.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3515 -2.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6371 -4.2956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3515 -4.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9226 -4.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 -0.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4771 -0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3291 0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 1 20 1 0 0 0 0 19 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 18 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 27 30 1 6 0 0 0 26 31 1 1 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 35 38 1 1 0 0 0 34 39 1 6 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 15 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 14 44 1 0 0 0 0 M END > NP0051109 > NP-MRD > CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C)C(=O)N1CC[C@H]2OC3=CC=C(\C=C/NC(=O)[C@@H]4CCCN4C(=O)[C@@H]12)C(OC)=C3 > InChI=1S/C33H49N5O6/c1-8-20(3)27(35-31(40)28(36(5)6)21(4)9-2)32(41)38-18-15-25-29(38)33(42)37-17-10-11-24(37)30(39)34-16-14-22-12-13-23(44-25)19-26(22)43-7/h12-14,16,19-21,24-25,27-29H,8-11,15,17-18H2,1-7H3,(H,34,39)(H,35,40)/b16-14-/t20-,21-,24-,25+,27-,28-,29-/m0/s1 > NXCUAFMNFVTKHA-HLYPCORHSA-N > C33H49N5O6 > 611.784 > 611.368284318 > 7 > 93 > 65.07821504673967 > 1 > 2 > 0 > 0 > (2S,3S)-2-(dimethylamino)-N-[(2S,3S)-1-[(3R,7S,13S,16Z)-22-methoxy-8,14-dioxo-2-oxa-6,9,15-triazatetracyclo[16.2.2.0^{3,7}.0^{9,13}]docosa-1(20),16,18,21-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide > 3.23 > 2.416902695999998 > -3.75 > 1 > 4 > 1 > 13.165713194244574 > 12.270545483256306 > 8.055063486516362 > 120.52 > 167.19279999999998 > 9 > 0 > 1.09e-01 g/l > (2S,3S)-2-(dimethylamino)-N-[(2S,3S)-1-[(3R,7S,13S,16Z)-22-methoxy-8,14-dioxo-2-oxa-6,9,15-triazatetracyclo[16.2.2.0^{3,7}.0^{9,13}]docosa-1(20),16,18,21-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide > 0 > NP0051109 > Zizyphine A $$$$