Marvin 03091114182D 29 28 0 0 1 0 999 V2000 15.3105 -11.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4621 -12.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4621 -13.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3105 -10.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4621 -8.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4623 -9.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6140 -11.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1588 -12.4786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3105 -7.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6140 -7.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8551 -13.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7037 -11.8138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0070 -10.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0070 -11.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8552 -12.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9175 -6.4935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4621 -5.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3105 -6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1587 -5.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0068 -6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8552 -5.8287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7658 -5.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7658 -4.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6140 -6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3726 -5.8286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0689 -4.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2208 -7.8237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2208 -6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0689 -5.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 6 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 9 5 2 0 0 0 0 10 5 1 0 0 0 0 4 6 1 0 0 0 0 6 5 1 0 0 0 0 14 15 1 0 0 0 0 8 14 1 0 0 0 0 13 14 2 0 0 0 0 15 12 1 6 0 0 0 11 15 1 0 0 0 0 16 22 1 0 0 0 0 24 22 1 0 0 0 0 17 24 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 23 2 0 0 0 0 24 10 1 1 0 0 0 28 29 1 0 0 0 0 25 28 1 0 0 0 0 27 28 2 0 0 0 0 29 16 1 6 0 0 0 26 29 1 0 0 0 0 M END > CHEBI:61626 > L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanine > A tetrapeptide comprising L-alanyl, γ-D-glutamyl, L-lysyl and D-alanine residues coupled in sequence. > 3 > L-Ala-gamma-D-Glu-L-Lys-D-Ala > C17H31N5O7 > 417.45730 > 417.22235 > 0 > C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(O)=O)C(O)=O > InChI=1S/C17H31N5O7/c1-9(19)14(24)22-12(17(28)29)6-7-13(23)21-11(5-3-4-8-18)15(25)20-10(2)16(26)27/h9-12H,3-8,18-19H2,1-2H3,(H,20,25)(H,21,23)(H,22,24)(H,26,27)(H,28,29)/t9-,10+,11-,12+/m0/s1 > XJIDMERGIYRDKC-WHOHXGKFSA-N > 10309556 > 16377691; 61706 $$$$