5920 -OEChem-03282419092D 35 36 0 1 0 0 0 0 0999 V2000 6.0010 1.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 3 21 1 0 0 0 0 4 14 1 0 0 0 0 4 18 1 0 0 0 0 5 17 1 0 0 0 0 5 34 1 0 0 0 0 6 17 2 0 0 0 0 7 23 1 0 0 0 0 7 35 1 0 0 0 0 10 8 1 1 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 17 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 M END > 5920 > 1 > 402 > 5 > 3 > 5 > AAADccByOAAAAwAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAwCAAADCzDmAQwDoBABgCIAiDSCAACCAAgIAAIiIGGCIgOJjKGsRuCeCCk0BEIuAfYyKCOIQAAAAAAAABCAAAAAAAAAAAAAAAAAA== > (2S)-2-amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid > (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid > (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid > (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid > (2S)-2-azanyl-3-[3,5-bis(iodanyl)-4-(3-iodanyl-4-oxidanyl-phenoxy)phenyl]propanoic acid > (2S)-2-amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]propionic acid > InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 > AUYYCJSJGJYCDS-LBPRGKRZSA-N > 1.7 > 650.7901 > C15H12I3NO4 > 650.97 > C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O > C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)O > 92.8 > 650.7901 > 0 > 23 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 8 11 13 8 12 16 8 13 15 8 14 15 8 14 16 8 18 19 8 18 20 8 19 21 8 20 22 8 21 23 8 22 23 8 10 8 5 $$$$