Ketcher 01152115322D 1 1.00000 0.00000 0 57 59 0 1 0 999 V2000 10.9248 -5.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0585 -5.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0585 -6.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9248 -7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9248 -8.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7913 -6.7215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1922 -7.2217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3259 -6.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1922 -5.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4595 -7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3259 -5.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4595 -8.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5932 -6.7215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7268 -7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3259 -8.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5932 -8.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5932 -5.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6577 -7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7913 -5.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5239 -6.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3903 -7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2567 -6.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1230 -7.2217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2567 -5.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4239 -6.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2916 -6.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1564 -6.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1528 -5.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0175 -4.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8853 -5.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8887 -6.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0240 -6.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6918 -6.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6918 -5.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5596 -7.0018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0981 -7.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6009 -7.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9371 -8.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0247 -8.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9628 -6.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9597 -5.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8275 -7.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0917 -5.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8306 -8.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8844 -6.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5239 -5.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3903 -5.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1578 -8.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1574 -8.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6577 -8.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1578 -9.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1582 -8.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4209 -5.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6098 -4.9133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2285 -4.9086 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.9162 -3.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9165 -3.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 6 1 0 0 0 3 7 1 0 0 0 7 8 1 0 0 0 3 2 1 1 0 0 3 4 1 0 0 0 2 9 1 0 0 0 8 10 1 0 0 0 8 11 2 0 0 0 10 12 1 6 0 0 10 13 1 0 0 0 4 5 2 0 0 0 13 14 1 0 0 0 2 1 1 0 0 0 12 15 1 0 0 0 12 16 1 0 0 0 13 17 1 0 0 0 6 18 1 0 0 0 6 19 1 0 0 0 18 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 22 24 2 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 23 1 0 0 0 36 40 1 0 0 0 40 41 1 6 0 0 40 42 1 0 0 0 42 33 1 0 0 0 31 32 2 0 0 0 41 43 1 0 0 0 32 27 1 0 0 0 42 44 1 6 0 0 25 35 1 6 0 0 25 26 1 0 0 0 26 27 1 0 0 0 33 34 2 0 0 0 33 35 1 0 0 0 36 45 1 1 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 23 36 1 0 0 0 20 46 1 6 0 0 46 47 1 0 0 0 18 48 1 0 0 0 18 49 1 1 0 0 48 50 1 0 0 0 50 51 1 0 0 0 48 52 1 1 0 0 25 53 1 0 0 0 53 54 2 0 0 0 53 55 1 0 0 0 54 56 1 0 0 0 55 57 1 0 0 0 56 57 2 0 0 0 M END > CHEBI:67357 > dolastatin 10 > A tetrapeptide that is isolated from the sea hare Dolabella auricularia. It is a potent anticancer agent which inhibits tubulin polymerization. > 3 > CHEBI:4684 > dolastatin-10; DLS-10 > N,N-dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide > C42H68N6O6S > 785.100 > 784.49211 > 0 > 110417-88-4 > 110417-88-4 > DB12730 > C11280 > C00044726 > LSM-45943 > 21472238; 21534541; 2353935; 25431858; 28682414; 28885014; 29454703; 30023909; 31460552; 31830440; 32026730; 32323990; 8471072 $$$$