null CDK 0224162319 null 36 40 0 0 0 0 0 0 0 0999 V2000 6.6784 -0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4235 -1.0837 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9755 -1.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7825 -1.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3345 -2.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0796 -2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2726 -3.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7206 -2.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6165 -1.2553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0645 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3194 0.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2575 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 -0.2006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8985 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 0.2410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6014 1.0256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4084 1.1971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9604 0.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 1.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4703 2.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 1.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5214 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0925 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4595 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3896 -0.8137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7486 -1.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4515 0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2585 0.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5134 1.0986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9614 1.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1544 1.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8995 0.7556 0.0000 C 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 2 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 17 19 1 6 0 0 0 19 20 1 0 0 0 0 16 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 15 1 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 22 1 0 0 0 0 25 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 2 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 31 1 0 0 0 0 M END > CHEBI:102069 > N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide > 2 > C28H29N3O5 > 487.548 > 487.21072 > 0 > C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5 > InChI=1S/C28H29N3O5/c1-17(18-6-3-2-4-7-18)30-26(33)14-21-13-23-22-12-20(31-28(34)19-8-5-11-29-15-19)9-10-24(22)36-27(23)25(16-32)35-21/h2-12,15,17,21,23,25,27,32H,13-14,16H2,1H3,(H,30,33)(H,31,34)/t17-,21+,23+,25+,27-/m1/s1 > SNGIXDWGPLKZOT-XASBYKNISA-N > LSM-13429 $$$$