91746318 CDK 1116211528 20 20 0 0 0 0 0 0 0 0999 V2000 2.4347 -1.3379 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7885 -0.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1646 0.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1207 1.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0477 -1.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3469 0.7859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9162 1.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8098 -0.2932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2223 0.9763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5623 0.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3908 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7447 0.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3577 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 -0.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 0.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1424 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9492 1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3973 0.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4772 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 15 2 0 0 0 0 3 17 1 0 0 0 0 4 17 2 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 7 12 1 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 9 18 1 0 0 0 0 9 20 2 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 16 18 2 0 0 0 0 M END > CHEBI:184054 > His-Met(o) > 2 > 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulinylbutanoic acid > C11H18N4O4S > 302.350 > 302.10488 > 0 > S(=O)(CCC(NC(=O)C(N)CC=1NC=NC1)C(O)=O)C > InChI=1S/C11H18N4O4S/c1-20(19)3-2-9(11(17)18)15-10(16)8(12)4-7-5-13-6-14-7/h5-6,8-9H,2-4,12H2,1H3,(H,13,14)(H,15,16)(H,17,18) > UENODEYVPZHDOT-UHFFFAOYSA-N $$$$