null CDK 0225161917 null 38 40 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 1 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 -1.2739 1.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7852 3.1891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5604 3.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7037 4.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 2.9410 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 1 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 1 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 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 18 20 1 0 0 0 0 9 21 1 0 0 0 0 21 22 1 0 0 0 0 22 2 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 4 35 1 0 0 0 0 35 36 1 6 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 M END > CHEBI:129445 > 3-cyclohexyl-1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea > 2 > C28H45N5O5 > 531.688 > 531.34207 > 0 > C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@H]1CN(C)C(=O)NC3CCCCC3)[C@@H](C)CO > InChI=1S/C28H45N5O5/c1-18(2)29-27(36)30-23-11-12-24-21(13-23)14-26(35)33(20(4)17-34)15-19(3)25(38-24)16-32(5)28(37)31-22-9-7-6-8-10-22/h11-13,18-20,22,25,34H,6-10,14-17H2,1-5H3,(H,31,37)(H2,29,30,36)/t19-,20-,25-/m0/s1 > RCXZWUYRMIXVKB-RLSLOFABSA-N > LSM-40996 $$$$