Marvin 05291313312D 16 15 0 0 1 0 999 V2000 11.2372 -6.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2372 -5.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9517 -5.3484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6662 -5.7609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6662 -6.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3806 -5.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0951 -5.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5228 -5.3484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8083 -5.7609 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5228 -4.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2372 -4.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9517 -4.5235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2372 -3.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3806 -4.5235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3806 -6.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9517 -6.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 6 14 2 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 M END > CHEBI:73825 > Asn-Val > A dipeptide formed from L-asparagine and L-valine residues. > 3 > NV; L-Asn-L-Val; asparaginylvaline; Asparaginyl-Valine > L-asparaginyl-L-valine > C9H17N3O4 > 231.24900 > 231.12191 > 0 > CC(C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(O)=O > InChI=1S/C9H17N3O4/c1-4(2)7(9(15)16)12-8(14)5(10)3-6(11)13/h4-5,7H,3,10H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)/t5-,7-/m0/s1 > KWBQPGIYEZKDEG-FSPLSTOPSA-N > 6330681 $$$$