Mrv2104 05272301512D 20 21 0 0 0 0 999 V2000 3.6801 -3.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5051 -3.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9176 -4.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9176 -2.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5051 -2.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6801 -2.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9176 -1.5053 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7426 -2.9343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1551 -2.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7426 -1.5053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9801 -2.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3926 -1.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0570 -0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6701 -0.1996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3846 -0.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1692 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7823 -0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6108 -1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8262 -1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2131 -1.4191 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 15 20 2 0 0 0 0 12 20 1 0 0 0 0 M CHG 1 7 -1 M END > NP0339740 > NP-MRD > CC(C)C(NC(=O)CC1=CNC2=C1C=CC=C2)C([O-])=O > InChI=1/C15H18N2O3/c1-9(2)14(15(19)20)17-13(18)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,14,16H,7H2,1-2H3,(H,17,18)(H,19,20)/p-1 > AZEGJHGXTSUPPG-UHFFFAOYNA-M > C15H17N2O3 > 273.313 > 273.124465995 > 3 > 37 > 28.303256656593284 > 1 > 2 > -1 > 1 > 2-[2-(1H-indol-3-yl)acetamido]-3-methylbutanoate > 2.060732322333333 > 0 > 2 > -1 > 14.219621049250396 > 4.154070822062172 > -2.2285846122616264 > 85.01999999999998 > 85.58220000000001 > 5 > 1 > 2-[2-(1H-indol-3-yl)acetamido]-3-methylbutanoate > 0 > NP0339740 > indole-3-acetyl-valine $$$$