Mrv1652304282200322D 43 46 0 0 1 0 999 V2000 -2.6733 5.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9588 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9589 6.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6733 7.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3878 6.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3878 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1023 7.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6734 8.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9589 8.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2444 8.1624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5299 8.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 9.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1845 8.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2204 7.3383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7758 6.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5984 6.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3633 5.9330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4437 6.1045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2444 5.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8562 5.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3041 4.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4495 5.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8785 5.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 3.8750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4495 3.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4495 2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2649 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2649 3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8785 3.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 4.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3074 3.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0219 3.8750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7364 3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7364 2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0219 4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3074 2.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0219 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 7.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 7.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9573 8.4512 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 4 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 2 19 1 0 0 0 0 18 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 17 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 26 29 1 6 0 0 0 25 30 1 1 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 1 0 0 0 0 34 37 1 1 0 0 0 33 38 1 6 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 14 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 13 43 1 0 0 0 0 M END > NP0051110 > 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(O)C(=C3)\C=C/NC(=O)[C@@H]3CCCN3C(=O)[C@@H]12 > InChI=1S/C32H47N5O6/c1-7-19(3)26(34-30(40)27(35(5)6)20(4)8-2)31(41)37-17-14-25-28(37)32(42)36-16-9-10-23(36)29(39)33-15-13-21-18-22(43-25)11-12-24(21)38/h11-13,15,18-20,23,25-28,38H,7-10,14,16-17H2,1-6H3,(H,33,39)(H,34,40)/b15-13-/t19-,20-,23-,25-,26-,27-,28-/m0/s1 > GZDWFNXEHGKTNE-IIMYRAIISA-N > C32H47N5O6 > 597.757 > 597.352634253 > 7 > 90 > 64.51269825386733 > 1 > 3 > 0 > 0 > (2S,3S)-2-(dimethylamino)-N-[(2S,3S)-1-[(3S,7S,13S,16Z)-19-hydroxy-8,14-dioxo-2-oxa-6,9,15-triazatetracyclo[16.3.1.0^{3,7}.0^{9,13}]docosa-1(21),16,18(22),19-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide > 2.70 > 2.1426470049932664 > -3.32 > 1 > 4 > 1 > 12.405741334204585 > 9.689590407092343 > 8.044900931058901 > 131.52 > 162.71049999999997 > 8 > 0 > 2.87e-01 g/l > (2S,3S)-2-(dimethylamino)-N-[(2S,3S)-1-[(3S,7S,13S,16Z)-19-hydroxy-8,14-dioxo-2-oxa-6,9,15-triazatetracyclo[16.3.1.0^{3,7}.0^{9,13}]docosa-1(21),16,18(22),19-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide > 0 > NP0051110 > Zizyphine F $$$$