Marvin 05021315242D 27 26 0 0 1 0 999 V2000 10.1133 -7.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1133 -8.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3989 -7.5063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8278 -7.5063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6844 -7.9188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3989 -6.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6844 -6.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6844 -5.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2567 -7.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5422 -8.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5423 -7.9188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2567 -6.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9712 -7.9188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9699 -5.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3989 -5.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4001 -7.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6857 -7.5063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4001 -8.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1146 -7.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6857 -6.6813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9769 -6.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3951 -6.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9769 -5.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2567 -9.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2565 -9.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9710 -10.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5420 -10.3937 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 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 8 14 2 0 0 0 0 8 15 1 0 0 0 0 17 16 1 0 0 0 0 18 16 2 0 0 0 0 19 16 1 0 0 0 0 17 13 1 1 0 0 0 20 17 1 0 0 0 0 21 20 1 0 0 0 0 20 22 1 6 0 0 0 23 21 1 0 0 0 0 24 10 1 0 0 0 0 25 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M END > CHEBI:73492 > Glu-Glu-Ile > A tripeptide composed of two L-glutamic acid units and L-isoleucine joined in sequence by peptide linkages. > 3 > L-Glu-L-Glu-L-Ile; EEI; E-E-I > L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucine > C16H27N3O8 > 389.40090 > 389.17981 > 0 > CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O > InChI=1S/C16H27N3O8/c1-3-8(2)13(16(26)27)19-15(25)10(5-7-12(22)23)18-14(24)9(17)4-6-11(20)21/h8-10,13H,3-7,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t8-,9-,10-,13-/m0/s1 > AUTNXSQEVVHSJK-YVNDNENWSA-N $$$$