Ketcher 08111614342D 1 1.00000 0.00000 0 39 42 0 1 0 999 V2000 10.6837 -18.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 -18.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8181 -18.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5506 -19.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8187 -19.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6849 -20.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6830 -17.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8166 -16.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9517 -18.0934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9510 -17.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0422 -18.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8436 -19.4889 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1714 -18.0172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8503 -19.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 -18.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8170 -15.5932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6266 -15.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0086 -15.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3186 -14.0550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3188 -14.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4547 -18.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1365 -17.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7928 -19.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8127 -19.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 -16.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5773 -15.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0573 -15.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5486 -16.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4538 -13.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6195 -12.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7432 -12.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4748 -12.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7222 -13.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5774 -14.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8880 -11.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0117 -12.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1565 -11.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2801 -12.4268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3127 -13.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 2 0 0 0 4 2 2 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 6 5 2 0 0 0 7 1 1 0 0 0 8 7 1 0 0 0 10 8 1 0 0 0 10 9 1 0 0 0 12 11 1 0 0 0 13 11 2 0 0 0 14 12 1 0 0 0 15 13 1 0 0 0 15 14 2 0 0 0 9 11 1 0 0 0 17 16 1 0 0 0 18 16 1 0 0 0 19 17 1 0 0 0 20 18 1 0 0 0 20 19 1 0 0 0 8 16 1 1 0 0 15 21 1 0 0 0 21 22 2 0 0 0 21 23 1 0 0 0 23 24 1 0 0 0 10 25 2 0 0 0 17 26 2 0 0 0 18 27 2 0 0 0 7 28 1 1 0 0 20 29 1 1 0 0 31 30 1 0 0 0 32 30 2 0 0 0 33 31 2 0 0 0 29 32 1 0 0 0 34 33 1 0 0 0 34 29 2 0 0 0 31 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 20 39 1 6 0 0 M END > CHEBI:132984 > RO4927350 > A carboxamide resulting from the formal condensation of the primary amino group of 4-propanoyl-1,3-thiazol-2-amine with the carboxy group of a 3-phenylbutiyric acid which has been substituted at position 2 by a (4R)-4-[p-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl group. It is a potent, highly selective inhibitormitogen-activated protein kinase 1/2 inhibitor. > 3 > RO-4927350; Ro 4927350 > (2S,3S)-2-{(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl}-3-phenyl-N-(4-propionyl-1,3-thiazol-2-yl)butanamide > C27H28N4O6S > 536.602 > 536.17296 > 0 > C=1(C=CC=CC1)[C@@H]([C@@H](C(NC=2SC=C(N2)C(=O)CC)=O)N3C(N[C@@](C3=O)(C=4C=CC(=CC4)OCCO)[H])=O)C > InChI=1S/C27H28N4O6S/c1-3-21(33)20-15-38-26(28-20)30-24(34)23(16(2)17-7-5-4-6-8-17)31-25(35)22(29-27(31)36)18-9-11-19(12-10-18)37-14-13-32/h4-12,15-16,22-23,32H,3,13-14H2,1-2H3,(H,29,36)(H,28,30,34)/t16-,22+,23-/m0/s1 > RKKBPPTYPGTSEA-FNVCAUGXSA-N > 876755-27-0 > 12496836 > 19244124 $$$$