null CDK 0224162312 null 35 38 0 0 0 0 0 0 0 0999 V2000 5.7551 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5347 0.6825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1583 0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0024 -0.6677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 -0.9377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5992 -0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8196 -0.6677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3519 0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7283 1.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9487 0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7928 0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4164 -0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0133 -0.1276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3896 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5455 1.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6101 0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2001 0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1315 0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3185 0.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2874 1.7627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0669 2.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6906 1.4927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4701 1.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6260 2.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6637 2.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0669 -1.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6260 -1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4056 -0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5615 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3410 0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9647 -0.3976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8088 -1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -1.4778 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 17 1 0 0 0 0 9 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 2 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 0 0 0 0 22 27 1 0 0 0 0 5 28 1 1 0 0 0 4 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 30 1 0 0 0 0 M END > CHEBI:100770 > N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide > 2 > C27H36N4O4 > 480.600 > 480.27366 > 0 > C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=NC=C4 > InChI=1S/C27H36N4O4/c1-18-14-31(15-20-9-11-28-12-10-20)19(2)17-35-24-13-22(29-26(32)21-5-6-21)7-8-23(24)27(33)30(3)16-25(18)34-4/h7-13,18-19,21,25H,5-6,14-17H2,1-4H3,(H,29,32)/t18-,19-,25+/m0/s1 > RHXUULWZVSTJED-XHNVNVPESA-N > LSM-12144 $$$$