Marvin 05011310222D 37 37 0 0 1 0 999 V2000 8.4715 -9.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4715 -10.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7569 -8.9413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1859 -8.9413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0425 -9.3538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7569 -8.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6150 -8.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6150 -8.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9006 -9.3538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3294 -9.3538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9006 -10.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0425 -7.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0425 -6.8788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3281 -8.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0439 -8.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7584 -9.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0439 -8.9411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4728 -8.9411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7584 -10.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7584 -7.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6174 -10.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6125 -11.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3295 -10.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0465 -10.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3294 -11.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0465 -11.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7584 -6.8786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4729 -8.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9004 -8.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8907 -11.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8862 -8.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1884 -9.3578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6068 -11.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1827 -10.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8904 -10.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1785 -11.8451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6330 -9.3190 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 9 11 1 0 0 0 0 12 6 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 17 15 1 0 0 0 0 17 16 1 0 0 0 0 18 16 1 0 0 0 0 19 16 2 0 0 0 0 17 10 1 1 0 0 0 15 20 1 0 0 0 0 21 11 1 0 0 0 0 22 21 2 0 0 0 0 23 21 1 0 0 0 0 25 22 1 0 0 0 0 24 23 2 0 0 0 0 26 24 1 0 0 0 0 26 25 2 0 0 0 0 20 27 2 0 0 0 0 20 28 1 0 0 0 0 31 29 2 0 0 0 0 32 29 1 0 0 0 0 37 29 1 0 0 0 0 35 30 1 0 0 0 0 33 30 2 0 0 0 0 36 30 1 0 0 0 0 34 32 1 0 0 0 0 32 18 1 6 0 0 0 35 34 1 0 0 0 0 M END > CHEBI:73437 > Asp-Phe-Asp-Gln > A tetrapeptide composed of L-aspartic acid, L-phenylalanine, L-aspartic acid and L-glutamine joined in sequence by peptide linkages. > 3 > L-Asp-L-Phe-L-Asp-L-Gln; DFDQ; D-F-D-Q > L-alpha-aspartyl-L-phenylalanyl-L-alpha-aspartyl-L-glutamine > C22H29N5O10 > 523.49320 > 523.19144 > 0 > N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O > InChI=1S/C22H29N5O10/c23-12(9-17(29)30)19(33)26-14(8-11-4-2-1-3-5-11)20(34)27-15(10-18(31)32)21(35)25-13(22(36)37)6-7-16(24)28/h1-5,12-15H,6-10,23H2,(H2,24,28)(H,25,35)(H,26,33)(H,27,34)(H,29,30)(H,31,32)(H,36,37)/t12-,13-,14-,15-/m0/s1 > APXVSPGLYXFFSD-AJNGGQMLSA-N $$$$