null CDK 0225161911 null 33 34 0 0 0 0 0 0 0 0999 V2000 -1.3278 5.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5525 5.5090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0222 6.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7903 6.2842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5047 5.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1367 6.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 5.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5047 4.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7903 3.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7903 3.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5047 2.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2192 3.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2192 3.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9337 2.6712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6481 3.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6481 3.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3626 2.6712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0771 3.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7915 2.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0771 3.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0222 4.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5525 4.6840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3278 4.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9597 4.9321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8165 5.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 4.6499 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5102 4.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0172 5.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4528 3.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 7.0967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7088 7.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3015 7.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4448 8.4394 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 6 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 2 0 0 0 0 26 29 1 0 0 0 0 4 30 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:124660 > 1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea > 2 > C22H36N4O6S > 484.611 > 484.23556 > 0 > C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H]1CN(C)S(=O)(=O)C)[C@H](C)CO > InChI=1S/C22H36N4O6S/c1-14(2)23-22(29)24-18-7-8-19-17(9-18)10-21(28)26(16(4)13-27)11-15(3)20(32-19)12-25(5)33(6,30)31/h7-9,14-16,20,27H,10-13H2,1-6H3,(H2,23,24,29)/t15-,16+,20+/m0/s1 > IDOMJCFPTXQKSJ-RZQQEMMASA-N > LSM-36102 $$$$