Marvin 05171313392D 21 21 0 0 1 0 999 V2000 8.4986 -7.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4986 -7.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7842 -6.6587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2131 -6.6587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0697 -7.0711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7842 -5.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6420 -6.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3564 -7.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9276 -7.0711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6422 -5.8337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9243 -7.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0943 -5.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3098 -5.3489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2657 -6.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7075 -5.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9748 -5.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0549 -4.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2299 -4.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6388 -8.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6388 -9.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3532 -7.8425 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 1 1 0 0 0 14 12 2 0 0 0 0 15 12 1 0 0 0 0 13 10 1 0 0 0 0 16 10 1 0 0 0 0 17 13 1 0 0 0 0 18 16 1 0 0 0 0 18 17 1 0 0 0 0 11 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M END > CHEBI:73342 > Ala-Asp-Pro > A tripeptide composed of L-alanine, L-aspartic acid, and L-proline units joined in sequernce by peptide linkages. > 3 > L-Ala-L-Asp-L-Pro; ADP; A-D-P > L-alanyl-L-alpha-aspartyl-L-proline > C12H19N3O6 > 301.29580 > 301.12739 > 0 > C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O > InChI=1S/C12H19N3O6/c1-6(13)10(18)14-7(5-9(16)17)11(19)15-4-2-3-8(15)12(20)21/h6-8H,2-5,13H2,1H3,(H,14,18)(H,16,17)(H,20,21)/t6-,7-,8-/m0/s1 > YSMPVONNIWLJML-FXQIFTODSA-N $$$$