Mrv1652307042107133D 85 86 0 0 0 0 999 V2000 -4.0252 2.2900 -0.2543 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8238 1.3678 0.2330 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2040 1.4460 -0.1627 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7827 0.4458 0.5930 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2048 0.2961 0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5985 -0.9380 0.9907 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2539 1.2480 0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9174 2.5972 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9779 3.4500 -0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2886 3.1237 -0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6106 1.8404 0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5520 0.8886 0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9852 -0.3462 0.8034 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4825 -0.0632 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 -0.0965 -1.5772 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8315 -0.9111 0.4459 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2085 -1.8711 1.2112 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6952 -3.0966 0.6120 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1951 -3.8997 1.6974 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1277 -1.0487 1.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -0.4725 2.9596 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9155 -0.9797 1.1707 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2689 -0.3212 1.2149 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6435 0.0126 -0.3176 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8114 -1.3050 -0.9751 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3256 -1.4125 -2.3932 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2640 -2.8386 -2.7154 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1655 -3.3420 -3.2808 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -3.6834 -2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -3.2373 -1.9645 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5627 -1.0335 1.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4905 -2.1744 2.0779 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6997 -0.2463 1.4196 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 -0.1786 1.4248 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4621 1.1825 0.8640 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8823 1.3323 0.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2858 2.5813 0.4851 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8852 0.3487 0.4262 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1913 0.7991 0.1310 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0979 -0.2025 -0.5312 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5099 0.3099 -0.5959 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6641 1.7766 -0.3279 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0496 2.1690 0.9456 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5321 3.0737 1.7428 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 1.4120 1.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5370 1.3022 2.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1182 2.1314 -0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3542 3.2672 -0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8117 1.0761 1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3960 -0.5198 0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3227 0.3817 1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8989 2.8408 -0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7577 4.4700 -0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1478 3.8518 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6325 1.5362 0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5986 -1.2241 0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0426 -1.8861 -0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9437 -2.2171 2.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9058 -3.0314 -0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5673 -3.7137 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9358 -4.3096 2.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0564 -1.6403 0.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2983 0.6386 1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4983 0.5834 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2664 0.5062 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 -2.0651 -0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2626 -1.7185 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3148 -0.9971 -2.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6234 -0.9097 -3.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1158 -4.0771 -2.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3682 -4.7196 -2.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3154 0.8257 1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6633 -0.9327 0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5452 -0.2320 2.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0186 1.9923 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9277 1.2504 -0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6787 -0.6585 0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0834 1.6550 -0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0834 -1.1018 0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7075 -0.5482 -1.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1157 -0.2466 0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8785 0.0996 -1.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0949 2.2986 -1.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6738 2.1016 -0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8170 3.6475 2.0573 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 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 2 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 23 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 45 46 2 0 0 0 0 12 7 1 0 0 0 0 45 39 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 49 1 1 0 0 0 4 50 1 0 0 0 0 4 51 1 0 0 0 0 8 52 1 0 0 0 0 9 53 1 0 0 0 0 10 54 1 0 0 0 0 11 55 1 0 0 0 0 13 56 1 0 0 0 0 16 57 1 0 0 0 0 17 58 1 1 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 61 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 1 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 28 70 1 0 0 0 0 29 71 1 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 38 77 1 0 0 0 0 39 78 1 6 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 42 83 1 0 0 0 0 42 84 1 0 0 0 0 44 85 1 0 0 0 0 M END > NP0016021 > NP-MRD > [H]ON(C([H])=O)C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(OC([H])([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1O[H])N([H])[H])C([H])([H])O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])[C@@]1([H])C(=O)N(O[H])C([H])([H])C([H])([H])C1([H])[H] > InChI=1S/C27H39N7O12/c28-23(46-14-21(38)16-5-1-2-8-20(16)37)26(42)32-19(13-35)25(41)31-17(6-3-11-33(44)15-36)24(40)29-10-9-22(39)30-18-7-4-12-34(45)27(18)43/h1-2,5,8,15,17-19,23,35,37,44-45H,3-4,6-7,9-14,28H2,(H,29,40)(H,30,39)(H,31,41)(H,32,42)/t17-,18-,19+,23+/m1/s1 > OPVRKWLOIXOCFZ-GBPOLFSSSA-N > C27H39N7O12 > 653.646 > 653.265669724 > 13 > 85 > 65.74969813561687 > 0 > 9 > 0 > 0 > (2R)-2-[(2S)-2-[(2S)-2-amino-2-[2-(2-hydroxyphenyl)-2-oxoethoxy]acetamido]-3-hydroxypropanamido]-N-(2-{[(3R)-1-hydroxy-2-oxopiperidin-3-yl]carbamoyl}ethyl)-5-(N-hydroxyformamido)pentanamide > -0.94 > -4.0861311156666655 > -2.43 > 0 > 2 > 1 > 8.584573194283942 > 8.030741393434445 > 6.22511224368167 > 290.26 > 155.47939999999997 > 18 > 0 > 2.42e+00 g/l > (2R)-2-[(2S)-2-[(2S)-2-amino-2-[2-(2-hydroxyphenyl)-2-oxoethoxy]acetamido]-3-hydroxypropanamido]-N-(2-{[(3R)-1-hydroxy-2-oxopiperidin-3-yl]carbamoyl}ethyl)-5-(N-hydroxyformamido)pentanamide > 0 > NP0016021 > Oxachelin C $$$$