Mrv1652306242105403D 70 72 0 0 0 0 999 V2000 -3.4649 0.9641 3.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9774 1.6870 2.5988 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9358 1.6129 1.4980 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4331 2.3378 0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7039 0.1812 1.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4405 -0.7057 1.6324 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7579 -0.2372 0.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5538 -1.6077 -0.1658 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2374 -2.1159 0.3790 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0590 -1.5477 1.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8466 -1.9140 -0.4454 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1113 -0.9355 -1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2874 -1.0611 -2.5848 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2097 0.4541 -0.8193 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4839 1.0545 -1.1556 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 1.5975 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9065 1.5532 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5735 2.1971 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 2.2133 -1.7537 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0998 2.7507 -2.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9847 3.3115 -1.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6575 3.3240 0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4709 3.8485 0.9603 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4493 4.4263 1.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4150 2.7432 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1643 2.7909 1.8165 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 1.2630 -1.3537 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0384 0.6159 -1.7962 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4098 -0.4927 -2.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5829 -0.6770 -3.6721 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6886 -1.7482 -1.6222 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0738 -2.1867 -2.0150 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5136 -3.4701 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -3.5782 -0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6563 -4.8301 0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2941 -5.9802 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5415 -5.8762 -1.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1524 -4.6276 -2.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1747 0.2139 4.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5139 0.4549 3.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1911 1.7280 4.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1404 2.7528 2.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9498 1.2715 2.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0353 2.1063 1.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2317 1.7046 -0.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5548 2.4387 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9754 3.3499 0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3168 -2.1944 0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 -3.2268 0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4186 -0.5015 1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5587 -2.1934 2.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0209 -1.5579 2.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1251 0.4847 0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7766 1.0734 -2.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3189 2.7223 -3.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9088 3.7300 -1.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2146 4.6008 2.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4116 3.8417 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7172 5.4187 1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4107 2.4767 2.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5196 1.8664 -2.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1315 2.0620 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9863 -2.5264 -2.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0954 -2.2010 -3.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7532 -1.3500 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5827 -2.7070 0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2464 -4.9041 1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5898 -6.9565 -0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2537 -6.7755 -2.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -4.5375 -3.0446 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 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 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 1 0 0 0 0 23 24 1 0 0 0 0 22 25 2 0 0 0 0 25 26 1 0 0 0 0 14 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 31 8 1 0 0 0 0 38 33 1 0 0 0 0 25 18 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 42 1 0 0 0 0 2 43 1 0 0 0 0 3 44 1 1 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 4 47 1 0 0 0 0 8 48 1 1 0 0 0 9 49 1 1 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 14 53 1 1 0 0 0 15 54 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 31 63 1 6 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 38 70 1 0 0 0 0 M END > NP0023225 > NP-MRD > [H]OC1=C(OC([H])([H])[H])C([H])=C([H])N=C1C(=O)N([H])[C@]1([H])C(=O)O[C@@]([H])(C([H])([H])[H])[C@@]([H])(OC(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@]([H])(C(=O)OC1([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H] > InChI=1S/C27H32N2O9/c1-5-15(2)25(32)38-23-16(3)37-27(34)19(29-24(31)21-22(30)20(35-4)11-12-28-21)14-36-26(33)18(23)13-17-9-7-6-8-10-17/h6-12,15-16,18-19,23,30H,5,13-14H2,1-4H3,(H,29,31)/t15-,16-,18+,19-,23+/m0/s1 > GIOFZQIXBXPMAB-UHFFFAOYSA-N > C27H32N2O9 > 528.558 > 528.210780618 > 7 > 70 > 54.23665972217164 > 1 > 2 > 0 > 0 > (3S,6S,7S,8R)-8-benzyl-3-(3-hydroxy-4-methoxypyridine-2-amido)-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl (2S)-2-methylbutanoate > 2.88 > 3.966517496 > -3.80 > 1 > 3 > 0 > 15.115589109054007 > 8.146081074676177 > 3.126427078913679 > 150.35 > 132.7371 > 9 > 0 > 8.45e-02 g/l > (3S,6S,7S,8R)-8-benzyl-3-(3-hydroxy-4-methoxypyridine-2-amido)-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl (2S)-2-methylbutanoate > 0 > NP0023225 > UK-2D $$$$