Mrv1652307042107013D 80 87 0 0 0 0 999 V2000 8.7110 -0.2908 -1.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8148 -0.0508 -0.5031 N 0 0 2 0 0 0 0 0 0 0 0 0 6.7771 -1.0485 -0.3669 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8841 -0.6225 0.7789 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9871 0.3626 0.4686 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 0.0940 -0.6650 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2258 0.9480 -0.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9305 0.8422 -0.8939 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0634 0.6070 0.2735 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3220 0.6250 -0.1945 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9987 1.2696 0.8324 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2889 1.7953 0.4750 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6465 3.1296 0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9194 4.2556 0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2434 4.2162 1.2717 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5279 5.5000 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8192 5.6054 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5677 4.4586 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9825 3.2258 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4291 1.9378 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6691 1.4739 -0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8323 0.0868 -0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7701 -0.7877 -0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6381 -2.1671 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5053 -3.1807 -0.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0441 -4.5083 -0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7613 -4.7917 -0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -3.7458 -0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3522 -2.4406 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6886 -1.2842 0.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5613 -0.2896 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3972 1.0840 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1982 -0.1530 -1.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7694 -1.2420 -1.4325 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8380 1.1147 -1.3033 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9109 2.1419 -0.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2157 3.3647 -0.9646 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8974 0.6144 2.1769 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8192 1.5914 3.2044 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2308 -0.3021 2.3568 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1370 -1.5603 2.8305 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1076 -0.5660 1.1161 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3211 -1.0751 1.5507 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4156 -2.4537 1.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1845 -0.0033 -1.8645 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9780 -1.2661 -1.6239 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0279 -2.2643 -1.3105 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7184 0.1321 -1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8624 -1.3761 -1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2883 0.1275 -2.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4015 0.8883 -0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2741 -1.9935 -0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3063 -1.5289 1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4785 -0.3699 1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8593 -0.9432 -0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 1.7522 -1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6049 0.0244 -1.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1621 1.5301 0.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3305 2.1835 0.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9143 6.3665 0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 6.5904 0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5738 4.6422 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5093 -3.0069 -1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7574 -5.2840 -1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3942 -5.7965 -0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8872 -3.9322 0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -1.2849 0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8229 1.2353 -1.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8617 0.1128 2.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2466 1.2956 3.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9801 0.0787 3.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3598 -1.8611 3.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5909 -1.4392 0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3396 -2.7172 0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5883 -3.0032 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3963 -2.7934 1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8467 0.8624 -1.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0505 -2.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5862 -1.5624 -2.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4420 -3.1294 -1.1321 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 1 0 0 0 0 8 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 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 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 27 28 1 0 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 22 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 11 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 6 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 3 1 0 0 0 0 42 9 1 0 0 0 0 32 12 1 0 0 0 0 19 13 1 0 0 0 0 32 20 1 0 0 0 0 36 21 1 0 0 0 0 31 23 1 0 0 0 0 29 24 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 51 1 0 0 0 0 3 52 1 1 0 0 0 4 53 1 0 0 0 0 4 54 1 0 0 0 0 6 55 1 1 0 0 0 8 56 1 0 0 0 0 8 57 1 0 0 0 0 9 58 1 1 0 0 0 11 59 1 1 0 0 0 16 60 1 0 0 0 0 17 61 1 0 0 0 0 18 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 30 67 1 0 0 0 0 35 68 1 0 0 0 0 38 69 1 1 0 0 0 39 70 1 0 0 0 0 40 71 1 1 0 0 0 41 72 1 0 0 0 0 42 73 1 6 0 0 0 44 74 1 0 0 0 0 44 75 1 0 0 0 0 44 76 1 0 0 0 0 45 77 1 0 0 0 0 45 78 1 0 0 0 0 46 79 1 6 0 0 0 47 80 1 0 0 0 0 M END > NP0014294 > NP-MRD > [H]O[C@@]1([H])C([H])([H])[C@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C4=C5N([H])C6=C([H])C([H])=C([H])C([H])=C6C5=C5C(=O)N([H])C(=O)C5=C4C4=C([H])C([H])=C([H])C(Cl)=C34)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])OC([H])([H])[H])OC([H])([H])[C@]1([H])N([H])C([H])([H])[H] > InChI=1S/C33H33ClN4O9/c1-35-17-11-45-20(10-18(17)39)46-12-19-30(44-2)28(40)29(41)33(47-19)38-26-14(7-5-8-15(26)34)22-24-23(31(42)37-32(24)43)21-13-6-3-4-9-16(13)36-25(21)27(22)38/h3-9,17-20,28-30,33,35-36,39-41H,10-12H2,1-2H3,(H,37,42,43)/t17-,18-,19+,20-,28+,29+,30+,33+/m0/s1 > ATEGCFWPRAJCNX-NVCNUFFYSA-N > C33H33ClN4O9 > 665.1 > 664.1936064 > 10 > 80 > 68.85504074911319 > 0 > 6 > 0 > 0 > 5-chloro-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-({[(2S,4S,5S)-4-hydroxy-5-(methylamino)oxan-2-yl]oxy}methyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione > 2.03 > 0.7148376275807393 > -4.34 > 1 > 8 > 1 > 12.433455156445667 > 8.017627067887586 > 9.280738188401857 > 176.52999999999997 > 167.6302 > 6 > 0 > 3.03e-02 g/l > 5-chloro-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-({[(2S,4S,5S)-4-hydroxy-5-(methylamino)oxan-2-yl]oxy}methyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione > 0 > NP0014294 > AT2433-A3 $$$$