Marvin 03031110082D 15 14 0 0 1 0 999 V2000 9.8132 -4.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8132 -4.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3844 -4.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0986 -5.2584 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5276 -5.2585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9565 -3.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2421 -4.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2421 -4.8461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9565 -5.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9565 -6.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9565 -2.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6711 -2.3710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2421 -2.3710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0986 -6.0834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6711 -4.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 15 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 9 10 2 0 0 0 0 8 9 1 0 0 0 0 7 8 1 0 0 0 0 6 7 1 0 0 0 0 11 6 1 0 0 0 0 8 5 1 6 0 0 0 4 3 1 0 0 0 0 4 14 1 1 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 4 1 1 0 0 0 0 M END > CHEBI:61566 > L-alanyl-D-glutamic acid > A dipeptide consisting of D-glutamic acid having an L-alanyl attached to its α-amino group > 3 > L-Alanyl-D-glutaminsaeure; L-Ala-D-Glu-OH; L-Ala-D-Glu > L-alanyl-D-glutamic acid > C8H14N2O5 > 218.20720 > 218.09027 > 0 > C[C@H](N)C(=O)N[C@H](CCC(O)=O)C(O)=O > InChI=1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5+/m0/s1 > VYZAGTDAHUIRQA-CRCLSJGQSA-N > 1728478 $$$$