CDK 1028232201 46 48 0 0 0 0 0 0 0 0999 V2000 3.5724 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4290 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7144 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.5375 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 8 5 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 12 14 1 1 0 0 0 13 15 1 1 0 0 0 16 13 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 22 19 1 6 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 26 31 1 0 0 0 0 27 32 2 0 0 0 0 29 33 2 0 0 0 0 30 34 2 0 0 0 0 35 30 1 0 0 0 0 35 36 1 1 0 0 0 37 35 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 6 0 0 0 37 40 1 0 0 0 0 38 41 2 0 0 0 0 38 42 1 0 0 0 0 40 43 1 0 0 0 0 40 44 1 0 0 0 0 42 45 1 0 0 0 0 45 46 1 0 0 0 0 6 8 1 0 0 0 0 28 32 1 0 0 0 0 31 33 1 0 0 0 0 M END > CHEBI:198669 > Actinoramide F > 2 > (3S)-N-[(2S,3S,4S)-5-[[(5R)-2,4-dioxo-1,3-diazinan-5-yl]amino]-3-hydroxy-4-methyl-5-oxo-1-phenylpentan-2-yl]-2-[(2R,3R)-3-hydroxy-2-[(2-methoxyacetyl)amino]-4-methylpentanoyl]-4,5-dihydro-3H-pyridazine-3-carboxamide > C30H43N7O9 > 645.714 > 645.31223 > 0 > O=C1NC(=O)[C@H](NC(=O)[C@H]([C@H](O)[C@@H](NC(=O)[C@H]2N(N=CCC2)C(=O)[C@H](NC(=O)COC)[C@H](O)C(C)C)CC3=CC=CC=C3)C)CN1 > InChI=1S/C30H43N7O9/c1-16(2)24(39)23(35-22(38)15-46-4)29(44)37-21(11-8-12-32-37)28(43)33-19(13-18-9-6-5-7-10-18)25(40)17(3)26(41)34-20-14-31-30(45)36-27(20)42/h5-7,9-10,12,16-17,19-21,23-25,39-40H,8,11,13-15H2,1-4H3,(H,33,43)(H,34,41)(H,35,38)(H2,31,36,42,45)/t17-,19-,20+,21-,23+,24+,25-/m0/s1 > ZWONNOHHKDDHBV-IEVWSOLKSA-N $$$$