145457778 CDK 1106201352 24 23 0 0 0 0 0 0 0 0999 V2000 5.6654 0.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -1.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 0.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -1.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 2.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 2.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -0.2558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -0.6683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -0.6683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -1.4933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9508 -0.6683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2364 -1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -0.2558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2364 -2.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 0.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.2558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8087 0.9818 0.0000 C 0 0 0 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 2.8075 0.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 1.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 19 2 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 5 22 2 0 0 0 0 6 24 1 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 9 15 1 0 0 0 0 16 9 1 1 0 0 0 20 10 1 1 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 1 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 M END > CHEBI:163189 > Ser-Ile-Glu > 2 > (2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid > C14H25N3O7 > 347.368 > 347.16925 > 0 > O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CO)[C@H](CC)C > InChI=1S/C14H25N3O7/c1-3-7(2)11(17-12(21)8(15)6-18)13(22)16-9(14(23)24)4-5-10(19)20/h7-9,11,18H,3-6,15H2,1-2H3,(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t7-,8-,9-,11-/m0/s1 > DJACUBDEDBZKLQ-KBIXCLLPSA-N $$$$