Mrv2104 05272301502D 22 23 0 0 0 0 999 V2000 -2.2208 0.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0277 1.0240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4402 0.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8882 -0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4201 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7056 0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7056 0.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 -0.3805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7233 0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4378 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1523 0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8668 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5812 0.0320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8668 -1.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7233 0.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4378 1.2695 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0089 1.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1432 -1.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9501 -1.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5022 -0.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2472 0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 1 5 2 0 0 0 0 4 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 3 22 1 0 0 0 0 M CHG 2 14 -1 17 -1 M END > NP0339737 > NP-MRD > [O-]C(=O)CCC(NC(=O)CC1=CNC2=C1C=CC=C2)C([O-])=O > InChI=1/C15H16N2O5/c18-13(17-12(15(21)22)5-6-14(19)20)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,16H,5-7H2,(H,17,18)(H,19,20)(H,21,22)/p-2 > YRKLGWOHYXIKSF-UHFFFAOYNA-L > C15H14N2O5 > 302.287 > 302.091368719 > 5 > 36 > 29.395889246523986 > 1 > 2 > -2 > 1 > 2-[2-(1H-indol-3-yl)acetamido]pentanedioate > 0.8200863959999998 > 0 > 2 > -2 > 4.400901826987662 > 3.649001286578514 > -2.505149665745815 > 125.15 > 98.21410000000002 > 7 > 1 > 2-[2-(1H-indol-3-yl)acetamido]pentanedioate > 0 > NP0339737 > indole-3-acetyl-glutamate $$$$