Marvin 05171314382D 16 15 0 0 1 0 999 V2000 10.4075 -9.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4075 -10.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6929 -8.8451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1220 -8.8451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9784 -9.2576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6929 -8.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4074 -7.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9784 -7.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8366 -10.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5510 -8.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8365 -9.2575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5510 -8.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2655 -9.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5499 -10.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5487 -11.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2677 -10.0887 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 6 7 1 0 0 0 0 6 8 1 0 0 0 0 11 9 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 10 1 0 0 0 0 11 4 1 6 0 0 0 9 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M END > CHEBI:73698 > Val-Asn > A dipeptide formed from L-valine and L-asparagine residues. > 3 > VN; valylasparagine; V-N; L-Val-L-Asn > L-valyl-L-asparagine > C9H17N3O4 > 231.24900 > 231.12191 > 0 > CC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O > InChI=1S/C9H17N3O4/c1-4(2)7(11)8(14)12-5(9(15)16)3-6(10)13/h4-5,7H,3,11H2,1-2H3,(H2,10,13)(H,12,14)(H,15,16)/t5-,7-/m0/s1 > WITCOKQIPFWQQD-FSPLSTOPSA-N > 6330828 $$$$