Mrv1533004161513062D 46 49 0 0 0 0 999 V2000 0.2583 -4.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5284 -4.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 -3.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8218 -3.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 -2.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 -2.6051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6086 -3.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3385 -4.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4187 -3.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9588 -3.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7689 -3.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 -4.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 -2.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6887 -2.2933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4989 -2.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1486 -1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2818 -2.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 -1.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0919 -2.2933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4419 -3.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2606 -2.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4165 -2.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2604 -2.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0072 -1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4332 -1.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6189 -0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3892 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0990 0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 1.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6479 1.5224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3673 1.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2671 0.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5411 0.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1612 0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 0.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5659 -0.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8398 -0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -0.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0483 -0.2249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1951 -1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4363 -1.3679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6942 -1.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9665 -0.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8068 -1.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 5 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 27 1 4 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 35 40 1 0 0 0 0 33 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 19 44 1 0 0 0 0 22 44 1 0 0 0 0 27 45 1 0 0 0 0 45 46 2 0 0 0 0 24 46 1 0 0 0 0 M END > NP0329729 > NP-MRD > CCC(C)C(NC(=O)C(CC(C)C)N(C)C)C(=O)N1CCC2OC3=CC=C(C=C3)C=CNC(=O)C(CC3=CC=CC=C3)NC(=O)C12 > InChI=1S/C36H49N5O5/c1-7-24(4)31(39-34(43)29(40(5)6)21-23(2)3)36(45)41-20-18-30-32(41)35(44)38-28(22-26-11-9-8-10-12-26)33(42)37-19-17-25-13-15-27(46-30)16-14-25/h8-17,19,23-24,28-32H,7,18,20-22H2,1-6H3,(H,37,42)(H,38,44)(H,39,43) > WNFWWKQIJLMBCL-UHFFFAOYSA-N > C36H49N5O5 > 631.818 > 631.373369698 > 6 > 95 > 68.85247474133794 > 1 > 3 > 0 > 0 > N-(1-{10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),13,15,18-tetraen-6-yl}-3-methyl-1-oxopentan-2-yl)-2-(dimethylamino)-4-methylpentanamide > 3.96 > 3.880281021666664 > -4.89 > 1 > 4 > 1 > 12.327988253173658 > 11.011719705144037 > 7.800949357072652 > 120.08000000000001 > 177.73649999999995 > 10 > 0 > 8.10e-03 g/l > N-(1-{10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),13,15,18-tetraen-6-yl}-3-methyl-1-oxopentan-2-yl)-2-(dimethylamino)-4-methylpentanamide > 0 > NP0329729 > n-(1-{10-benzyl-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl}-3-methyl-1-oxopentan-2-yl)-2-(dimethylamino)-4-methylpentanimidic acid $$$$