Mrv2104 05272301512D 21 22 0 0 0 0 999 V2000 -1.6892 -4.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9747 -5.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9747 -5.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2602 -4.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -5.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -5.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 -6.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2602 -6.2780 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1687 -4.6280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 -5.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 -5.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -4.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3121 -5.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 -4.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3207 -3.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1277 -3.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6798 -4.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4248 -5.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6178 -5.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2053 -6.0325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 -5.8610 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 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 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 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 13 21 2 0 0 0 0 M CHG 1 8 -1 M END > NP0339738 > NP-MRD > CC(C)CC(NC(=O)CC1=CNC2=CC=CC=C12)C([O-])=O > InChI=1/C16H20N2O3/c1-10(2)7-14(16(20)21)18-15(19)8-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,14,17H,7-8H2,1-2H3,(H,18,19)(H,20,21)/p-1 > HCZNPUHZYPPINM-UHFFFAOYNA-M > C16H19N2O3 > 287.34 > 287.14011606 > 3 > 40 > 29.892627815809334 > 1 > 2 > -1 > 1 > 2-[2-(1H-indol-3-yl)acetamido]-4-methylpentanoate > 2.4273472573333326 > 0 > 2 > -1 > 14.380620386792453 > 4.203656571671374 > -2.505031039876332 > 85.01999999999998 > 90.26020000000003 > 6 > 1 > 2-[2-(1H-indol-3-yl)acetamido]-4-methylpentanoate > 0 > NP0339738 > indole-3-acetyl-leucine $$$$