Ketcher 06221716302D 1 1.00000 0.00000 0 33 33 0 1 0 999 V2000 10.6653 -4.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6653 -5.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7991 -4.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5311 -4.4035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9332 -4.9037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7991 -3.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2629 -4.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2629 -3.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3969 -4.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1289 -4.9037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9332 -2.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3969 -5.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6651 -2.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8612 -4.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8612 -5.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9950 -4.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7271 -4.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9950 -3.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8612 -2.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8612 -1.9035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7273 -3.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5932 -4.9036 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0670 -4.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -3.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2011 -4.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3349 -4.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4691 -4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4693 -5.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6028 -4.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6033 -6.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7369 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7372 -5.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5933 -2.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 3 5 1 1 0 0 6 3 1 0 0 0 8 7 2 0 0 0 9 7 1 0 0 0 10 7 1 0 0 0 9 4 1 6 0 0 11 6 1 0 0 0 9 12 1 0 0 0 6 13 1 0 0 0 15 14 2 0 0 0 16 14 1 0 0 0 17 14 1 0 0 0 16 10 1 1 0 0 18 16 1 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 19 21 1 0 0 0 17 22 1 0 0 0 24 23 2 0 0 0 25 23 1 0 0 0 26 25 1 0 0 0 5 23 1 0 0 0 28 27 1 0 0 0 29 27 2 0 0 0 30 28 2 0 0 0 31 29 1 0 0 0 32 30 1 0 0 0 32 31 2 0 0 0 26 27 1 0 0 0 21 33 1 0 0 0 M END > CHEBI:137045 > Z-Val-Ala-Asp(OMe)-CH2F > A tripeptide consisting of Z-Val-Ala-Asp(OMe) in which the C-terminal OH group has been replaced by a fluoromethyl group. An irreversible pan-caspase inhibitor. > 3 > Z-Val-Ala-Asp(OMe)-FMK; Z-Val-Ala-Asp(OMe)-fluoromethyl ketone; Z-VAD-FMK; Z-VAD(OMe)-FMK; Z-L-Val-L-Ala-L-Asp(OMe)-CH2F; pan-caspase inhibitor > N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-5-fluoro-1-methoxy-1,4-dioxopentan-3-yl]-L-alaninamide > C22H30FN3O7 > 467.489 > 467.20678 > 0 > C(=O)([C@@H](NC(=O)OCC=1C=CC=CC1)C(C)C)N[C@H](C(=O)N[C@H](C(=O)CF)CC(=O)OC)C > InChI=1S/C22H30FN3O7/c1-13(2)19(26-22(31)33-12-15-8-6-5-7-9-15)21(30)24-14(3)20(29)25-16(17(27)11-23)10-18(28)32-4/h5-9,13-14,16,19H,10-12H2,1-4H3,(H,24,30)(H,25,29)(H,26,31)/t14-,16-,19-/m0/s1 > MIFGOLAMNLSLGH-QOKNQOGYSA-N > 187389-52-2 > 8170381 > 27889601; 28235426; 28350112; 28627168 $$$$