CDK 0328191930 35 37 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4103 0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0132 1.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2308 0.7477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6410 0.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 1.4822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4616 0.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2175 2.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4616 1.4955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8652 -0.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8652 0.7874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8652 2.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6857 0.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8454 -2.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1109 -2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5534 -1.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2556 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3764 -2.8784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5402 -0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2615 -2.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2482 -0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9695 -1.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9562 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6775 -2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2217 1.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 0.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0555 0.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 -2.8454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2085 2.1638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9761 -3.3218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3260 -3.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2209 -4.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0547 -4.1026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 6 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 1 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 9 12 1 6 0 0 0 10 13 1 0 0 0 0 11 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 3 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 27 31 3 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 32 34 2 0 0 0 0 33 35 2 0 0 0 0 9 11 1 0 0 0 0 23 24 1 0 0 0 0 34 35 1 0 0 0 0 M END > CHEBI:143329 > (2S,3S,4S,5R)-6-[2-cyano-2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > 2 > C23H27N5O7 > 485.491 > 485.191 > 0 > O=C(O)[C@H]1OC(OCC(C#N)(C2=CC(=CC(=C2)CN3N=CN=C3)C(C#N)(C)C)C)[C@H](O)[C@H]([C@@H]1O)O > InChI=1S/C23H27N5O7/c1-22(2,8-24)14-4-13(7-28-12-26-11-27-28)5-15(6-14)23(3,9-25)10-34-21-18(31)16(29)17(30)19(35-21)20(32)33/h4-6,11-12,16-19,21,29-31H,7,10H2,1-3H3,(H,32,33)/t16-,17-,18+,19-,21?,23?/m0/s1 > RCRSVHSRIMHUKO-JUVIALTQSA-N $$$$