Mol:PBX00050

 
 OpenBabel10130914012D 
 
 20 21  0  0  0  0  0  0  0  0999 V2000 
  529.5620 -539.0387    0.0000 C   0  0  0  0  0 
  401.6179 -690.5090    0.0000 C   0  0  0  0  0 
  468.8232 -877.0471    0.0000 C   0  0  0  0  0 
  663.9725 -912.1147    0.0000 C   0  0  0  0  0 
  724.7113 -574.1062    0.0000 C   0  0  0  0  0 
  791.9166 -760.6443    0.0000 C   0  0  0  0  0 
  975.5104 -835.5193    0.0000 C   0  0  0  0  0 
  961.0336-1033.2651    0.0000 C   0  0  0  0  0 
  768.4926-1080.6038    0.0000 N   0  0  0  0  0 
 1144.0000 -731.0000    0.0000 C   0  0  0  0  0 
 1318.7616 -824.6559    0.0000 C   0  0  0  0  0 
 1487.2507 -720.1359    0.0000 N   0  0  0  0  0 
 1325.0339-1022.8318    0.0000 O   0  0  0  0  0 
 1662.0123 -813.7918    0.0000 C   0  0  0  0  0 
 1830.5015 -709.2718    0.0000 C   0  0  0  0  0 
 1824.2291 -511.0959    0.0000 O   0  0  0  0  0 
 2005.2631 -802.9277    0.0000 O   0  0  0  0  0 
 1668.2847-1011.9677    0.0000 C   0  0  0  0  0 
 1499.7955-1116.4877    0.0000 C   0  0  0  0  0 
 1843.0463-1105.6237    0.0000 C   0  0  0  0  0 
  1  2  2  0  0  0 
  1  5  1  0  0  0 
  2  3  1  0  0  0 
  3  4  2  0  0  0 
  4  6  1  0  0  0 
  4  9  1  0  0  0 
  5  6  2  0  0  0 
  6  7  1  0  0  0 
  7  8  2  0  0  0 
  7 10  1  0  0  0 
  8  9  1  0  0  0 
 10 11  1  0  0  0 
 11 12  1  0  0  0 
 11 13  2  0  0  0 
 12 14  1  0  0  0 
 14 15  1  0  0  0 
 14 18  1  0  0  0 
 15 16  2  0  0  0 
 15 17  1  0  0  0 
 18 19  1  0  0  0 
 18 20  1  0  0  0 
S  SKP  6 
NAME	Indole-3-acetyl-L-valine 
ID	PBX00050 
FORMULA	C15H18N2O3 
EXACTMASS	274.131742452 
AVERAGEMASS	274.31510000000003 
SMILES	CC(C)C(C(O)=O)NC(=O)Cc(c1)c(c2)c(ccc2)n1 
M  END