Mrv1652306242106523D 32 33 0 0 0 0 999 V2000 4.5022 0.0156 -0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 0.9938 0.0225 N 0 0 1 0 0 0 0 0 0 0 0 0 2.4544 0.9084 -1.0014 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6108 -0.3189 -0.9837 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7923 -0.4920 0.2706 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0360 -1.7163 0.1082 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -1.8126 0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9535 -2.8649 -0.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1724 -0.7086 0.6698 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5768 -0.6358 0.1280 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8322 0.8559 -0.0501 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4711 1.4054 -0.4225 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5241 0.5293 0.2173 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 0.6527 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3132 1.7693 0.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2062 -0.6592 -1.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8757 -0.5354 0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3729 0.5893 -0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0988 0.8784 0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8567 1.8457 -1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0219 0.8637 -1.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9164 -0.2532 -1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2631 -1.1946 -1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4738 -0.6479 1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5603 -2.6150 -0.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 -0.7849 1.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7344 -1.2019 -0.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3051 -0.9759 0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5566 0.9518 -0.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1674 1.3347 0.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 1.3576 -1.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 2.4653 -0.1671 H 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 4 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 5 1 0 0 0 0 13 9 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 1 0 0 0 6 25 1 0 0 0 0 9 26 1 1 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 M END > NP0009685 > NP-MRD > [H]N(C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])N([H])C(=O)[C@@]2([H])N(C1=O)C([H])([H])C([H])([H])C2([H])[H] > InChI=1S/C10H17N3O2/c1-11-5-4-7-10(15)13-6-2-3-8(13)9(14)12-7/h7-8,11H,2-6H2,1H3,(H,12,14)/t7-,8-/m0/s1 > LDVAGCGRLQBHOA-YUMQZZPRSA-N > C10H17N3O2 > 211.265 > 211.132076799 > 3 > 32 > 22.37102281017333 > 1 > 2 > 0 > 0 > (3S,8aS)-3-[2-(methylamino)ethyl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dione > -1.16 > -1.660366380068578 > -1.29 > 0 > 2 > 1 > 18.796487169264235 > 11.44751516979466 > 10.025270701378668 > 61.44 > 55.12510000000002 > 3 > 1 > 1.09e+01 g/l > (3S,8aS)-3-[2-(methylamino)ethyl]-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione > 0 > NP0009685 > Bacillusamide A $$$$