321 -OEChem-05132417232D 92 96 0 0 0 0 0 0 0999 V2000 8.0511 6.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4934 0.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4433 0.9561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8523 -6.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 5.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5422 2.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3943 2.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2473 -5.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9349 1.3528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4650 -0.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4702 -0.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9684 -1.3862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1330 1.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8974 0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0377 0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1653 1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7704 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7704 -1.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7381 1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0712 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8974 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7715 -1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1665 -2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1988 -1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4344 2.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9297 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0071 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4690 -2.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4355 2.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0071 -0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9297 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4678 -2.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8416 3.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1339 1.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8028 1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0618 -3.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0111 3.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8056 -1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0637 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7971 -3.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2427 4.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2116 0.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7252 0.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6606 -4.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 5.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4157 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5209 1.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2534 -5.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1096 2.3369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5478 1.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3546 1.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7986 2.3364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8175 -2.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3876 -1.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5824 -1.7859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1386 -2.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9365 0.7328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0850 -0.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8506 -0.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9603 -0.7663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3255 4.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4137 3.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5892 1.5101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 1.6108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1380 1.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3473 1.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5779 -4.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4897 -3.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5181 3.4158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3680 4.2797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5041 4.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4323 -1.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3007 -1.4591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1788 -0.5908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7537 -0.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5268 -1.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3737 -1.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3372 -3.2808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3813 -4.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2570 -4.1125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7588 4.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6706 5.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 0.2821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5469 0.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3900 0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1807 0.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1445 -4.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2327 -5.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6836 6.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9366 1.3316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2198 -6.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 45 1 0 0 0 0 1 89 1 0 0 0 0 2 46 1 0 0 0 0 2 90 1 0 0 0 0 3 47 1 0 0 0 0 3 91 1 0 0 0 0 4 48 1 0 0 0 0 4 92 1 0 0 0 0 5 45 2 0 0 0 0 6 46 2 0 0 0 0 7 47 2 0 0 0 0 8 48 2 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 9 57 1 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 10 58 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 11 59 1 0 0 0 0 12 18 1 0 0 0 0 12 23 1 0 0 0 0 12 60 1 0 0 0 0 13 16 1 0 0 0 0 13 25 2 0 0 0 0 14 16 1 0 0 0 0 14 26 2 0 0 0 0 15 19 1 0 0 0 0 15 27 2 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 29 2 0 0 0 0 18 22 1 0 0 0 0 18 28 2 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 20 30 2 0 0 0 0 21 24 1 0 0 0 0 21 31 2 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 32 2 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 29 1 0 0 0 0 25 33 1 0 0 0 0 26 31 1 0 0 0 0 26 34 1 0 0 0 0 27 30 1 0 0 0 0 27 35 1 0 0 0 0 28 32 1 0 0 0 0 28 36 1 0 0 0 0 29 37 1 0 0 0 0 30 38 1 0 0 0 0 31 39 1 0 0 0 0 32 40 1 0 0 0 0 33 41 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 42 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 43 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 44 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 41 45 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 42 46 1 0 0 0 0 42 83 1 0 0 0 0 42 84 1 0 0 0 0 43 47 1 0 0 0 0 43 85 1 0 0 0 0 43 86 1 0 0 0 0 44 48 1 0 0 0 0 44 87 1 0 0 0 0 44 88 1 0 0 0 0 M END > 321 > 1 > 1170 > 8 > 8 > 12 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAWLFiwAAAAAAAAAAAAAB/gAAHgAQCAAADAiBngACiJLJkgCoAwTwTACCgCAhACAAmSEwRJgIIHLA0JGEYAhkkADIyAeY2fOegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-[8,12,17-tris(2-carboxyethyl)-3,7,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid > 3-[8,12,17-tris(2-carboxyethyl)-3,7,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid > 3-[8,12,17-tris(2-carboxyethyl)-3,7,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid > 3-[8,12,17-tris(2-carboxyethyl)-3,7,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid > 3-[8,12,17-tris(3-hydroxy-3-oxopropyl)-3,7,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid > 3-[8,12,17-tris(2-carboxyethyl)-3,7,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphin-2-yl]propionic acid > InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48) > NIUVHXTXUXOFEB-UHFFFAOYSA-N > 3.6 > 660.31591437 > C36H44N4O8 > 660.8 > CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O)C > CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O)C > 212 > 660.31591437 > 0 > 48 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 8 10 21 8 11 15 8 11 20 8 12 18 8 12 23 8 13 25 8 14 26 8 15 27 8 17 29 8 18 28 8 20 30 8 21 31 8 23 32 8 25 29 8 26 31 8 27 30 8 28 32 8 9 13 8 9 17 8 $$$$