Ketcher 04011609302D 1 1.00000 0.00000 0 34 37 0 1 0 999 V2000 11.7290 -4.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8629 -3.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5950 -3.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8629 -2.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9969 -4.2426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7289 -5.2426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7290 -2.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7290 -1.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1308 -3.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1308 -2.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2648 -4.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2648 -5.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3988 -3.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3988 -5.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5328 -4.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5328 -5.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -5.7426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -6.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 -8.4451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8871 -6.8359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 -7.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6962 -8.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8007 -7.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1308 -6.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9969 -7.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2648 -7.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9969 -8.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8629 -6.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1308 -5.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9969 -5.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8629 -5.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1308 -8.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2648 -8.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5950 -2.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 6 1 2 0 0 0 4 2 1 0 0 0 2 5 1 1 0 0 7 4 1 0 0 0 9 5 1 0 0 0 8 7 1 0 0 0 10 9 2 0 0 0 11 9 1 0 0 0 12 11 2 0 0 0 13 11 1 0 0 0 14 12 1 0 0 0 29 12 1 0 0 0 15 13 2 0 0 0 16 14 2 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 18 17 1 0 0 0 23 18 1 0 0 0 21 19 2 0 0 0 22 19 1 0 0 0 21 20 1 0 0 0 23 20 1 0 0 0 23 22 2 0 0 0 25 24 2 0 0 0 26 24 1 0 0 0 29 24 1 0 0 0 27 25 1 0 0 0 28 25 1 0 0 0 33 26 2 0 0 0 32 27 2 0 0 0 31 28 2 0 0 0 30 29 2 0 0 0 31 30 1 0 0 0 33 32 1 0 0 0 7 34 1 0 0 0 M END > CHEBI:101257 > GGTI-2133 free base > An N-acyl-L-amino acid obtained by condensation of the carboxy group of 4-{[(imidazol-4-yl)methyl]amino}-2-(naphthalen-1-yl)benzoic acid with the amino group of L-leucine. An inhibitor of geranylgeranyltransferase type I. > 3 > GGTI 2133 free base > N-[4-{[(1H-imidazol-4-yl)methyl]amino}-2-(naphthalen-1-yl)benzoyl]-L-leucine > C27H28N4O3 > 456.537 > 456.21614 > 0 > C([C@H](CC(C)C)NC(=O)C1=C(C=C(C=C1)NCC=2NC=NC2)C=3C4=C(C=CC=C4)C=CC3)(O)=O > InChI=1S/C27H28N4O3/c1-17(2)12-25(27(33)34)31-26(32)23-11-10-19(29-15-20-14-28-16-30-20)13-24(23)22-9-5-7-18-6-3-4-8-21(18)22/h3-11,13-14,16-17,25,29H,12,15H2,1-2H3,(H,28,30)(H,31,32)(H,33,34)/t25-/m0/s1 > ODTFPKNIFYMEHP-VWLOTQADSA-N > 25113814 > 23335799; 23415632; 23649168; 23744643; 24486886; 25882623 $$$$