CDK 1030232201 35 36 0 0 0 0 0 0 0 0999 V2000 2.8579 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2869 3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2869 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0013 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0013 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1447 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -1.6500 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 1.4290 2.0625 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 4 2 1 6 0 0 0 5 3 1 6 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 8 5 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 1 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 2 0 0 0 0 18 11 1 0 0 0 0 14 19 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 18 22 1 1 0 0 0 23 18 1 0 0 0 0 20 24 1 0 0 0 0 21 25 2 0 0 0 0 22 26 1 0 0 0 0 23 27 1 6 0 0 0 23 28 1 0 0 0 0 24 29 2 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 28 32 1 0 0 0 0 28 33 1 0 0 0 0 31 34 1 0 0 0 0 34 35 1 0 0 0 0 12 16 1 0 0 0 0 25 29 1 0 0 0 0 M END > CHEBI:213798 > Actinoramide C > 2 > (3S)-2-[(2R,3R)-3-hydroxy-2-[(2-methoxyacetyl)amino]-4-methylpentanoyl]-N-[(2S,3S)-3-hydroxy-1-phenylpentan-2-yl]diazinane-3-carboxamide > C25H40N4O6 > 492.617 > 492.29479 > 0 > O=C(N[C@H]([C@@H](O)CC)CC1=CC=CC=C1)[C@H]2N(NCCC2)C(=O)[C@H](NC(=O)COC)[C@H](O)C(C)C > InChI=1S/C25H40N4O6/c1-5-20(30)18(14-17-10-7-6-8-11-17)27-24(33)19-12-9-13-26-29(19)25(34)22(23(32)16(2)3)28-21(31)15-35-4/h6-8,10-11,16,18-20,22-23,26,30,32H,5,9,12-15H2,1-4H3,(H,27,33)(H,28,31)/t18-,19-,20-,22+,23+/m0/s1 > DPENGEYUBPGRBN-GHIJRLNRSA-N $$$$