Mrv1652304282209162D 49 51 0 0 1 0 999 V2000 -10.6998 2.6663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8794 2.7525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4669 3.4670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6599 3.2955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.0468 3.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8592 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 2.0625 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0 -6.0177 2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8427 1.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 2.0625 0.0000 P 0 0 1 0 0 0 0 0 0 0 0 0 -4.5888 1.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8579 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5724 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4138 2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3273 2.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8024 4.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0354 1.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8559 1.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3408 2.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1613 2.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0052 3.2475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1848 3.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8492 4.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 9 8 1 1 0 0 0 9 10 2 0 0 0 0 9 11 1 6 0 0 0 9 12 1 0 0 0 0 13 12 1 6 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 15 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 16 21 1 0 0 0 0 20 22 1 1 0 0 0 22 23 1 0 0 0 0 19 24 1 6 0 0 0 18 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 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 32 34 1 0 0 0 0 31 35 1 6 0 0 0 17 36 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 13 40 1 1 0 0 0 6 41 1 0 0 0 0 2 41 1 0 0 0 0 3 42 1 6 0 0 0 1 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 1 48 1 0 0 0 0 48 49 2 0 0 0 0 M END > NP0062692 > NP-MRD > C[C@@H](NC(=O)[C@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[P@](O)(=O)O[P@](O)(=O)OC[C@@H]2O[C@@H]([C@H](O)[C@H]2O)N2C=CC(=O)NC2=O)[C@@H]1NC(C)=O)C(O)=O > InChI=1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/t8-,9+,11-,12+,14-,15+,16-,17-,18-,20+,22-/m1/s1 > NTMMCWJNQNKACG-XUOALAJISA-N > C23H36N4O20P2 > 750.497 > 750.139813571 > 17 > 85 > 62.70618862958802 > 0 > 10 > 0 > 0 > (2R)-2-[(2S)-2-{[(2R,3R,4R,5S,6R)-2-({[({[(2S,3R,4R,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanoic acid > -1.36 > -5.131288215333333 > -1.89 > 1 > 3 > -3 > 3.012789748794974 > 1.7295427641153927 > -3.664543362841415 > 355.81 > 150.18420000000003 > 15 > 0 > 9.58e+00 g/l > (2R)-2-[(2S)-2-{[(2R,3R,4R,5S,6R)-2-[({[(2S,3R,4R,5S)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanoic acid > 0 > NP0062692 > UDP-N-acetylmuramoyl-L-alanine $$$$