Mrv2104 05272302472D 14 13 0 0 0 0 999 V2000 -0.4125 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 4.2868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 2.1434 0.0000 N 0 3 0 0 0 1 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 8 9 1 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M CHG 1 14 1 M RAD 1 14 2 M END > NP0339925 > NP-MRD > COC(=O)C(CCCC[N+])NC(C)=O > InChI=1/C9H16N2O3/c1-7(12)11-8(9(13)14-2)5-3-4-6-10/h8H,3-6H2,1-2H3,(H,11,12)/q+1 > PWYMVEZNECQGRS-UHFFFAOYNA-N > C9H16N2O3 > 200.237 > 200.115543803 > 2 > 30 > 21.355748639616174 > 1 > 1 > 1 > 0 > (5-acetamido-6-methoxy-6-oxohexyl)azaniumyl > -1.6381580382092789 > 0 > 0 > 1 > 12.523167481479948 > -1.8005872622322754 > 78.46000000000001 > 50.50030000000001 > 7 > 1 > (5-acetamido-6-methoxy-6-oxohexyl)ammonio > 0 > NP0339925 > N-α-acetyl lysine methyl ester $$$$