Mrv2104 12262312002D 33 35 0 0 1 0 999 V2000 3.5668 0.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2464 0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4277 0.1022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6675 0.4226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5650 1.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8048 1.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7022 2.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1471 1.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0099 -0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1124 -0.8941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7919 -1.6543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0301 -1.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2176 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4885 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 -2.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1087 -2.2094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8689 -2.5299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9714 -3.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7316 -3.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3138 -3.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5265 -2.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 -2.3522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 -3.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2497 0.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 -0.4530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4240 -1.2132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6067 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5631 -0.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0612 -1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8860 -0.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1565 -1.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4989 -2.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8219 -1.7976 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 3 1 0 0 0 0 4 5 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 17 21 1 0 0 0 0 21 22 2 0 0 0 0 15 23 2 0 0 0 0 9 24 2 0 0 0 0 25 2 1 0 0 0 0 25 26 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 0 0 0 0 25 28 1 6 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 29 33 1 0 0 0 0 M END > NP0332294 > NP-MRD > CC(C)C[C@@H]1NC(=O)[C@H](CC2=COC=C2)N(C)C(=O)[C@@H](NC(=O)[C@@H]2CCCN2C1=O)C(C)C > InChI=1S/C24H36N4O5/c1-14(2)11-17-23(31)28-9-6-7-18(28)21(29)26-20(15(3)4)24(32)27(5)19(22(30)25-17)12-16-8-10-33-13-16/h8,10,13-15,17-20H,6-7,9,11-12H2,1-5H3,(H,25,30)(H,26,29)/t17-,18-,19-,20-/m0/s1 > XJBJWMXUWGIXLB-MUGJNUQGSA-N > C24H36N4O5 > 460.575 > 460.268570275 > 4 > 69 > 48.30356632748514 > 1 > 2 > 0 > 1 > (3S,6S,9S,14aS)-6-[(furan-3-yl)methyl]-5-methyl-9-(2-methylpropyl)-3-(propan-2-yl)-tetradecahydropyrrolo[1,2-a]1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrone > 1.2884429196666654 > 0 > 3 > 0 > 11.313666365584236 > 10.773394314233744 > -2.585046186104554 > 111.96000000000001 > 121.577 > 5 > 1 > (3S,6S,9S,14aS)-6-(furan-3-ylmethyl)-3-isopropyl-5-methyl-9-(2-methylpropyl)-octahydro-2H-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrone > 0 > NP0332294 > endolide E $$$$