Mrv1652309122213552D 18 18 0 0 1 0 999 V2000 1.7309 -4.4270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 -2.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 -2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 -2.9980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6184 -2.2836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 -2.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 -1.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 -1.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0934 -2.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9184 -2.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 -2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0934 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 -2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 -4.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 8 15 1 0 0 0 0 6 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M END > NP0328442 > NP-MRD > OC(=N)CC[C@H](NC1=CC=C(O)C(O)=C1)C(O)=O > InChI=1S/C11H14N2O5/c12-10(16)4-2-7(11(17)18)13-6-1-3-8(14)9(15)5-6/h1,3,5,7,13-15H,2,4H2,(H2,12,16)(H,17,18)/t7-/m0/s1 > SGMDQKBASJSDDV-ZETCQYMHSA-N > C11H14N2O5 > 254.242 > 254.090271559 > 7 > 32 > 24.455115331890653 > 1 > 6 > 0 > 0 > (2S)-2-[(3,4-dihydroxyphenyl)amino]-4-(C-hydroxycarbonimidoyl)butanoic acid > -3.795793256551379 > 0 > 1 > -1 > 2.353461648939503 > -1.299731567336618 > 12.425451622891172 > 133.87 > 74.3413 > 6 > 0 > (2S)-2-[(3,4-dihydroxyphenyl)amino]-4-(C-hydroxycarbonimidoyl)butanoic acid > 0 > NP0328442 > (2s)-2-[(3,4-dihydroxyphenyl)amino]-4-(c-hydroxycarbonimidoyl)butanoic acid $$$$