Marvin 07301315232D 16 15 0 0 1 0 999 V2000 10.3546 -5.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3546 -6.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6401 -5.5151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0690 -5.5151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9256 -5.9278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6401 -4.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4978 -5.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4978 -4.6903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7833 -5.9278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2122 -5.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9256 -4.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7833 -6.7528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3545 -4.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4979 -7.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4978 -7.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0689 -7.1652 0.0000 C 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 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 9 4 1 6 0 0 0 11 6 1 0 0 0 0 9 12 1 0 0 0 0 6 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 12 16 1 6 0 0 0 M END > CHEBI:75012 > Val-Ile > A dipeptide formed from L-valine and L-isoleucine residues. > 3 > VI; Valylisoleucine; Valyl-Isoleucine; L-Val-L-Ile > L-valyl-L-isoleucine > C11H22N2O3 > 230.30400 > 230.16304 > 0 > CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(O)=O > InChI=1S/C11H22N2O3/c1-5-7(4)9(11(15)16)13-10(14)8(12)6(2)3/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t7-,8-,9-/m0/s1 > PNVLWFYAPWAQMU-CIUDSAMLSA-N > 1711731 $$$$