Mrv1652309022203212D 39 44 0 0 1 0 999 V2000 7.4777 0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6557 0.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 -0.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3054 0.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 1.0513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1330 1.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6047 2.4751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2543 3.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7260 3.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3756 4.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5536 4.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0819 4.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4323 3.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9606 2.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1386 2.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 1.8683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 1.1914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1097 0.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4519 -0.0860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7750 0.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0145 1.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5165 1.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1288 -0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9322 -0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4962 -0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2568 -1.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4534 -1.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8894 -1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0645 -1.3635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4068 -1.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 -2.6863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7299 -1.3898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9505 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9693 -0.6003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4713 0.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 -0.5840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0117 0.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3055 -0.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 -0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 6 16 1 0 0 0 0 17 16 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 21 22 2 0 0 0 0 19 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 6 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 36 34 1 1 0 0 0 29 36 1 0 0 0 0 19 36 1 0 0 0 0 5 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 M END > NP0146038 > NP-MRD > CC(C)[C@H](OC(C)=O)C1=NC2=CC=CC=C2C(=O)N1[C@@H]1C[C@@]2(OC1=O)[C@@H]1N(O)[C@@H](C)C(=O)N1C1=CC=CC=C21 > InChI=1S/C28H28N4O7/c1-14(2)22(38-16(4)33)23-29-19-11-7-5-9-17(19)25(35)30(23)21-13-28(39-26(21)36)18-10-6-8-12-20(18)31-24(34)15(3)32(37)27(28)31/h5-12,14-15,21-22,27,37H,13H2,1-4H3/t15-,21+,22-,27-,28-/m0/s1 > HHNRKSWQUGTUBV-PEYHEJLLSA-N > C28H28N4O7 > 532.553 > 532.195799258 > 7 > 67 > 54.53032714604124 > 1 > 1 > 0 > 0 > (1S)-1-{3-[(2S,4'R,9S,9aS)-1-hydroxy-2-methyl-3,5'-dioxo-1,2,3,9a-tetrahydrospiro[imidazo[1,2-a]indole-9,2'-oxolane]-4'-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-methylpropyl acetate > 2.06 > 2.289502398666666 > -4.14 > 0 > 6 > 0 > 17.60568359767652 > 14.922229993953412 > 1.5918849028388131 > 129.05 > 137.46890000000002 > 5 > 0 > 3.84e-02 g/l > (1S)-1-{3-[(2S,4'R,9S,9aS)-1-hydroxy-2-methyl-3,5'-dioxo-2,9a-dihydrospiro[imidazo[1,2-a]indole-9,2'-oxolane]-4'-yl]-4-oxoquinazolin-2-yl}-2-methylpropyl acetate > 0 > NP0146038 > nortryptoquivaline a $$$$