Marvin 04291312012D 30 29 0 0 1 0 999 V2000 9.1301 -7.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1301 -8.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4156 -7.4452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8446 -7.4452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7011 -7.8577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4156 -6.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2735 -7.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2735 -6.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5590 -7.8577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9880 -7.8577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5590 -8.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4170 -7.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4170 -8.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7025 -7.4452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1314 -7.4452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7025 -6.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2724 -9.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2711 -9.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9901 -8.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4159 -6.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4146 -5.3821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1336 -6.6141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8623 -8.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5686 -7.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8630 -7.8624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5692 -6.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2847 -7.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5754 -9.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5735 -9.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2934 -8.6962 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 16 14 1 0 0 0 0 17 11 1 0 0 0 0 18 17 1 0 0 0 0 19 17 1 0 0 0 0 20 16 1 0 0 0 0 21 20 2 0 0 0 0 22 20 1 0 0 0 0 25 23 1 0 0 0 0 25 24 1 0 0 0 0 26 24 2 0 0 0 0 27 24 1 0 0 0 0 25 15 1 6 0 0 0 28 23 1 0 0 0 0 29 28 2 0 0 0 0 30 28 1 0 0 0 0 M END > CHEBI:73355 > Ala-Leu-Asp-Asp > A tetrapeptide composed of L-alanine, L-leucine, and two L-aspartic acid units joined in sequence by peptide linkages. > 3 > L-Ala-L-Leu-L-Asp-L-Asp; ALDD; A-L-D-D > L-alanyl-L-leucyl-L-alpha-aspartyl-L-aspartic acid > C17H28N4O9 > 432.42560 > 432.18563 > 0 > CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O > InChI=1S/C17H28N4O9/c1-7(2)4-9(19-14(26)8(3)18)15(27)20-10(5-12(22)23)16(28)21-11(17(29)30)6-13(24)25/h7-11H,4-6,18H2,1-3H3,(H,19,26)(H,20,27)(H,21,28)(H,22,23)(H,24,25)(H,29,30)/t8-,9-,10-,11-/m0/s1 > GHBSKQGCIYSCNS-NAKRPEOUSA-N $$$$