38029777 CDK 0121221436 26 27 0 0 0 0 0 0 0 0999 V2000 3.0789 -3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 1.8563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 3.9188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.2063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7934 0.6188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0789 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -1.0313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3644 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -3.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 3.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -4.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 4.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 2 18 2 0 0 0 0 3 19 2 0 0 0 0 4 13 1 0 0 0 0 4 19 1 0 0 0 0 5 25 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 1 0 0 0 7 12 1 0 0 0 0 7 13 1 6 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 6 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 14 18 1 0 0 0 0 19 20 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 M END > CHEBI:189503 > Ethyl {(1s,4s,5s)-4-[(isonicotinoylamino)methyl]-5-isopropyl-2-methyl-2-cyclohexen-1-yl}acetate > 2 > ethyl 2-[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(pyridine-4-carbonylamino)methyl]cyclohex-2-en-1-yl]acetate > C21H30N2O3 > 358.482 > 358.22564 > 0 > O(C(=O)C[C@@H]1C[C@H]([C@@H](C=C1C)CNC(=O)C2=CC=NC=C2)C(C)C)CC > InChI=1S/C21H30N2O3/c1-5-26-20(24)12-17-11-19(14(2)3)18(10-15(17)4)13-23-21(25)16-6-8-22-9-7-16/h6-10,14,17-19H,5,11-13H2,1-4H3,(H,23,25)/t17-,18-,19-/m0/s1 > BSTZJININODUKU-FHWLQOOXSA-N $$$$