145458035 CDK 1106201352 24 23 0 0 0 0 0 0 0 0999 V2000 9.2377 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6654 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3798 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9508 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2364 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5232 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18 1 1 6 0 0 0 2 15 2 0 0 0 0 20 3 1 1 0 0 0 4 19 2 0 0 0 0 5 22 1 0 0 0 0 6 22 2 0 0 0 0 7 24 2 0 0 0 0 12 8 1 6 0 0 0 8 19 1 0 0 0 0 14 9 1 6 0 0 0 9 15 1 0 0 0 0 16 10 1 6 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 24 1 0 0 0 0 18 21 1 0 0 0 0 20 23 1 0 0 0 0 M END > CHEBI:163839 > Thr-Gln-Thr > 2 > (2S,3R)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoic acid > C13H24N4O7 > 348.356 > 348.16450 > 0 > O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CCC(=O)N)C(O)=O)C > InChI=1S/C13H24N4O7/c1-5(18)9(15)12(22)16-7(3-4-8(14)20)11(21)17-10(6(2)19)13(23)24/h5-7,9-10,18-19H,3-4,15H2,1-2H3,(H2,14,20)(H,16,22)(H,17,21)(H,23,24)/t5-,6-,7+,9+,10+/m1/s1 > KGKWKSSSQGGYAU-SUSMZKCASA-N $$$$