Marvin 05071014192D 36 35 0 0 1 0 999 V2000 18.6757 -23.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9613 -24.2831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3902 -24.2831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6757 -23.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2468 -23.8706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9613 -25.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6758 -25.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6758 -26.3456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3903 -25.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5323 -24.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8179 -23.8706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5323 -25.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8179 -23.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1034 -24.2831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3889 -23.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5323 -22.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1034 -22.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3889 -23.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6745 -24.2831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9599 -23.8706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6745 -25.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3889 -25.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3889 -26.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1034 -26.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6745 -26.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2455 -24.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5310 -23.8706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2455 -25.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8165 -24.2831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5310 -23.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8165 -22.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8165 -21.8081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1021 -23.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8165 -25.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1021 -25.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5311 -25.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 6 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 1 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 20 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 29 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 M END > CHEBI:59385 > Ac-Asp-Glu-Val-Asp-H > A tetrapeptide consisting of two L-aspartic acid residues, an L-glutamyl residue and an L-valine residue with an acetyl group at the N-terminal and with the C-terminal carboxy group reduced to an aldehyde. It is an inhibitor of caspase-3/7. > 3 > N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-N-[(1S)-2-carboxy-1-formylethyl]-L-valinamide; Ac-DEVD-CHO > N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-valinamide > C20H30N4O11 > 502.47240 > 502.19111 > 0 > [H]C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(C)C > InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1 > UMBVAPCONCILTL-MRHIQRDNSA-N $$$$