Mrv2104 05272302432D 27 30 0 0 0 0 999 V2000 4.8799 -1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 -0.8161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 0.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8799 0.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3950 -0.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -0.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1575 -1.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3325 -1.1181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6825 -2.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3095 -3.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0942 -3.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7072 -3.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5357 -2.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7511 -2.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4049 -3.8527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -3.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3325 -2.5470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3950 -1.8326 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1575 -2.5470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7084 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3215 1.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1061 1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2776 0.5609 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 1 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 1 0 0 0 0 8 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 2 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 12 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 11 19 2 0 0 0 0 9 20 2 0 0 0 0 7 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 1 5 2 0 0 0 0 4 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 3 27 2 0 0 0 0 M CHG 1 22 -1 M END > NP0339912 > NP-MRD > [O-]C(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)CC1=CNC2=C1C=CC=C2 > InChI=1/C21H19N3O3/c25-20(10-14-12-23-18-8-4-2-6-16(14)18)24-19(21(26)27)9-13-11-22-17-7-3-1-5-15(13)17/h1-8,11-12,19,22-23H,9-10H2,(H,24,25)(H,26,27)/p-1 > FOSPCYZZRVNHJS-UHFFFAOYNA-M > C21H18N3O3 > 360.394 > 360.135365032 > 3 > 45 > 37.24720974453294 > 1 > 3 > -1 > 1 > 3-(1H-indol-3-yl)-2-[2-(1H-indol-3-yl)acetamido]propanoate > 2.9283254616666667 > 1 > 4 > -1 > 14.103855324672525 > 4.151161257303727 > -2.794426354562484 > 100.81 > 112.29210000000002 > 6 > 1 > 3-(1H-indol-3-yl)-2-[2-(1H-indol-3-yl)acetamido]propanoate > 0 > NP0339912 > indole-3-acetyl-tryptophan $$$$