Mrv2104 05272302412D 22 23 0 0 0 0 999 V2000 1.3809 -0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8288 0.3095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2413 1.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9864 1.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5384 2.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3454 2.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6003 1.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0483 0.8525 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 2.8490 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5635 0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5635 0.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 -0.3805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9924 0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7069 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4214 0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1358 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8503 0.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1358 -1.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9924 0.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7069 1.2695 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2780 1.2695 0.0000 O 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 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 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 2 0 0 0 0 11 13 1 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 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 1 9 2 0 0 0 0 3 8 2 0 0 0 0 M CHG 1 21 -1 M END > NP0339907 > NP-MRD > NC(=O)CCC(NC(=O)CC1=CNC2=C1C=CC=C2)C([O-])=O > InChI=1/C15H17N3O4/c16-13(19)6-5-12(15(21)22)18-14(20)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12,17H,5-7H2,(H2,16,19)(H,18,20)(H,21,22)/p-1 > DVJIJAYHBZALOJ-UHFFFAOYNA-M > C15H16N3O4 > 302.311 > 302.114629587 > 4 > 38 > 30.12189396096626 > 1 > 3 > -1 > 1 > 4-carbamoyl-2-[2-(1H-indol-3-yl)acetamido]butanoate > 0.01314378233333318 > 0 > 2 > -1 > 14.099935749697819 > 3.9395828014295233 > -1.5388820403724355 > 128.11 > 89.19919999999999 > 7 > 1 > 4-carbamoyl-2-[2-(1H-indol-3-yl)acetamido]butanoate > 0 > NP0339907 > indole-3-acetyl-glutamine $$$$