Marvin 05011316472D 36 35 0 0 1 0 999 V2000 8.8995 -9.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8995 -10.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1851 -9.0579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6140 -9.0579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4706 -9.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1851 -8.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4706 -7.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4706 -6.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0429 -9.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3284 -10.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3285 -9.4704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0429 -8.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7573 -9.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1785 -9.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4680 -9.0602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1785 -10.2909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8892 -9.0602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4680 -8.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7561 -6.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1851 -6.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3181 -9.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6036 -9.4728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3182 -8.2353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6035 -10.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0325 -9.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0428 -10.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0427 -11.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7573 -10.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7535 -6.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0390 -6.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7535 -7.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4680 -6.5852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8873 -11.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1717 -11.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8890 -10.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5985 -11.9529 0.0000 N 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 7 6 1 0 0 0 0 8 7 1 0 0 0 0 11 9 1 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 11 10 1 0 0 0 0 11 4 1 6 0 0 0 15 14 1 0 0 0 0 16 14 2 0 0 0 0 17 14 1 0 0 0 0 15 13 1 1 0 0 0 15 18 1 0 0 0 0 8 19 2 0 0 0 0 8 20 1 0 0 0 0 22 21 1 0 0 0 0 23 21 2 0 0 0 0 25 21 1 0 0 0 0 24 22 1 0 0 0 0 22 17 1 6 0 0 0 10 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 31 29 1 0 0 0 0 30 29 2 0 0 0 0 32 29 1 0 0 0 0 31 18 1 0 0 0 0 35 33 1 0 0 0 0 34 33 2 0 0 0 0 36 33 1 0 0 0 0 35 24 1 0 0 0 0 M END > CHEBI:73465 > Glu-Asp-Gln-Gln > A tetrapeptide composed of L-glutamic acid, L-aspartic acid and two L-glutamine units joined in sequence by peptide linkages. > 3 > L-Glu-L-Asp-L-Gln-L-Gln; EDQQ; E-D-Q-Q > L-alpha-glutamyl-L-alpha-aspartyl-L-glutaminyl-L-glutamine > C19H30N6O11 > 518.47510 > 518.19726 > 0 > N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O > InChI=1S/C19H30N6O11/c20-8(1-6-14(28)29)16(32)25-11(7-15(30)31)18(34)23-9(2-4-12(21)26)17(33)24-10(19(35)36)3-5-13(22)27/h8-11H,1-7,20H2,(H2,21,26)(H2,22,27)(H,23,34)(H,24,33)(H,25,32)(H,28,29)(H,30,31)(H,35,36)/t8-,9-,10-,11-/m0/s1 > MNYNINSTBAKKFY-NAKRPEOUSA-N $$$$