Ketcher 08091816002D 1 1.00000 0.00000 0 16 15 0 1 0 999 V2000 16.8434 -8.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8434 -9.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9776 -7.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7092 -7.7923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1116 -8.2922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9776 -6.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4410 -7.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4410 -6.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5751 -8.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3068 -8.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1116 -6.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5751 -9.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8434 -6.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7112 -9.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4428 -9.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4540 -10.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 3 5 1 1 0 0 6 3 1 0 0 0 8 7 2 0 0 0 9 7 1 0 0 0 10 7 1 0 0 0 9 4 1 6 0 0 11 6 1 0 0 0 9 12 1 0 0 0 6 13 1 6 0 0 12 14 1 6 0 0 12 15 1 0 0 0 15 16 1 0 0 0 M END > CHEBI:141446 > Thr-Ile > A dipeptide obtained by formal condensation of the carboxy group of L-threonine with the amino group of L-isoleucine. > 3 > TI dipeptide; TI; threonylisoleucine; threonine isoleucine dipeptide; T-I dipeptide; T-I; (2S,3S)-2-{[(2S,3R)-2-amino-3-hydroxybutanoyl]amino}-3-methylpentanoic acid > L-threonyl-L-isoleucine > C10H20N2O4 > 232.277 > 232.14231 > 0 > C(=O)([C@@H](N)[C@H](O)C)N[C@H](C(=O)O)[C@@H](C)CC > InChI=1S/C10H20N2O4/c1-4-5(2)8(10(15)16)12-9(14)7(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t5-,6+,7-,8-/m0/s1 > LUMXICQAOKVQOB-YWIQKCBGSA-N > 27312736 > 28351802 $$$$