null CDK 0224162328 null 34 36 0 0 0 0 0 0 0 0999 V2000 0.4825 -3.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2003 -2.4002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6247 -2.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2566 -1.8699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3999 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2124 -0.9142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9874 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2122 -0.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5631 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0518 0.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2766 1.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3554 0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1333 2.0945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6419 2.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7653 2.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9756 -1.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8323 -1.8699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5468 -2.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2613 -1.8699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2613 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9757 -2.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9757 -3.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6902 -1.8699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 -2.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1192 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8336 -2.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8336 -3.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1192 -3.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 -3.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9711 -2.2824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6856 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9711 -3.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6856 -3.5199 0.0000 O 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 2 0 0 0 0 5 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 14 16 1 0 0 0 0 9 17 1 0 0 0 0 17 18 1 0 0 0 0 18 2 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 4 31 1 0 0 0 0 31 32 1 6 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 M END > CHEBI:103733 > 3-cyclohexyl-1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea > 2 > C26H42N4O4 > 474.637 > 474.32061 > 0 > C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)C(=O)NC3CCCCC3)[C@@H](C)CO > InChI=1S/C26H42N4O4/c1-18-15-30(19(2)17-31)25(32)14-20-13-22(28(3)4)11-12-23(20)34-24(18)16-29(5)26(33)27-21-9-7-6-8-10-21/h11-13,18-19,21,24,31H,6-10,14-17H2,1-5H3,(H,27,33)/t18-,19+,24-/m1/s1 > NUQLUNTVVQHOLK-YDIMBITNSA-N > LSM-15077 $$$$