145458194 CDK 1106201352 22 21 0 0 0 0 0 0 0 0999 V2000 8.5232 1.9058 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -0.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -1.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 0.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -1.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 -0.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -1.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -0.1568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -0.5692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 0.6683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -0.5692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8087 -0.1568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5219 -0.1568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8087 0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.5692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2364 -0.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -0.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 2.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 16 2 1 1 0 0 0 3 18 1 0 0 0 0 4 15 2 0 0 0 0 5 17 2 0 0 0 0 6 21 1 0 0 0 0 7 21 2 0 0 0 0 11 8 1 6 0 0 0 8 17 1 0 0 0 0 12 9 1 1 0 0 0 9 15 1 0 0 0 0 13 10 1 6 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 16 20 1 0 0 0 0 M END > CHEBI:164229 > Thr-Ser-Met > 2 > (2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulanylbutanoic acid > C12H23N3O6S > 337.390 > 337.13076 > 0 > S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CO)C(O)=O)C > InChI=1S/C12H23N3O6S/c1-6(17)9(13)11(19)15-8(5-16)10(18)14-7(12(20)21)3-4-22-2/h6-9,16-17H,3-5,13H2,1-2H3,(H,14,18)(H,15,19)(H,20,21)/t6-,7+,8+,9+/m1/s1 > XZUBGOYOGDRYFC-XGEHTFHBSA-N $$$$