Marvin 05151311052D 23 22 0 0 1 0 999 V2000 8.2158 -8.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2158 -9.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 -8.0313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9302 -8.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7868 -8.4438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 -7.2063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3591 -8.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3591 -7.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6447 -8.4438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0736 -8.4438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6447 -9.2688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5026 -8.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5026 -9.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7881 -8.0313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2170 -8.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2158 -6.7938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7868 -6.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3591 -9.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9302 -9.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7881 -7.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5026 -6.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5026 -5.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2171 -7.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 3 5 1 1 0 0 0 6 3 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 9 4 1 6 0 0 0 11 9 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 12 1 0 0 0 0 14 10 1 1 0 0 0 6 16 1 1 0 0 0 6 17 1 0 0 0 0 11 18 1 6 0 0 0 11 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M END > CHEBI:73659 > Thr-Thr-Asp > A tripeptide composed of two L-threonine units and L-aspartic acid joined by peptide linkages. > 3 > TTD; T-T-D; L-Thr-L-Thr-L-Asp > L-threonyl-L-threonyl-L-aspartic acid > C12H21N3O8 > 335.31040 > 335.13286 > 0 > C[C@@H](O)[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O > InChI=1S/C12H21N3O8/c1-4(16)8(13)10(20)15-9(5(2)17)11(21)14-6(12(22)23)3-7(18)19/h4-6,8-9,16-17H,3,13H2,1-2H3,(H,14,21)(H,15,20)(H,18,19)(H,22,23)/t4-,5-,6+,8+,9+/m1/s1 > YRJOLUDFVAUXLI-GSSVUCPTSA-N $$$$