Mrv1652305161801242D 69 76 0 0 0 0 999 V2000 -0.7084 1.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 1.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 0.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0834 0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 -0.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7084 -1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.8579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 0.8579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -0.8505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -0.8505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4584 -2.0379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4584 -2.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 -3.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 -4.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8873 -4.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 1.4620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4584 2.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 3.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 4.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4584 2.0454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 2.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4371 -2.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1514 -3.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1511 -4.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4364 -4.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -1.4546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8458 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 2.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 2.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4379 2.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7236 3.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7239 4.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 4.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4375 2.0454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0208 1.4620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6458 0.7121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0833 -0.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -2.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4375 -2.0379 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4708 0.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -2.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 2.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 2.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -0.7046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4708 -0.7046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 1.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 0.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 Co 0 2 0 0 0 0 0 0 0 0 0 0 -2.8458 2.8910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4386 4.5204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8874 2.8704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 0.0330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4584 -4.5129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -0.0256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8654 -4.5135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8654 -5.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5798 -6.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5798 -5.7510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2943 -5.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 23 1 0 0 0 0 7 23 2 0 0 0 0 12 6 1 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 44 7 1 0 0 0 0 5 10 1 0 0 0 0 24 12 1 0 0 0 0 5 24 1 0 0 0 0 4 5 2 0 0 0 0 3 4 1 0 0 0 0 9 3 2 0 0 0 0 17 3 1 0 0 0 0 2 9 1 0 0 0 0 21 17 1 0 0 0 0 21 2 1 0 0 0 0 22 2 2 0 0 0 0 1 22 1 0 0 0 0 8 1 2 0 0 0 0 37 1 1 0 0 0 0 39 8 1 0 0 0 0 38 39 1 0 0 0 0 37 38 1 0 0 0 0 11 52 1 0 0 0 0 29 52 1 0 0 0 0 29 44 1 0 0 0 0 52 39 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 63 1 0 0 0 0 17 54 1 6 0 0 0 21 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 61 1 0 0 0 0 44 25 1 6 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 65 1 0 0 0 0 27 28 2 0 0 0 0 29 42 1 1 0 0 0 38 30 1 1 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 37 33 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 60 1 0 0 0 0 41 42 1 0 0 0 0 64 41 1 0 0 0 0 41 40 2 0 0 0 0 52 53 1 1 0 0 0 54 56 1 0 0 0 0 57 55 2 0 0 0 0 56 57 1 0 0 0 0 57 62 1 0 0 0 0 11 58 1 0 0 0 0 65 66 1 0 0 0 0 66 68 1 0 0 0 0 68 67 1 0 0 0 0 68 69 1 1 0 0 0 44 43 1 1 0 0 0 39 45 1 6 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 21 50 1 6 0 0 0 38 51 1 6 0 0 0 8 58 1 0 0 0 0 9 58 1 0 0 0 0 10 58 1 0 0 0 0 M CHG 1 58 2 M END > CHEM036306 > chemdb > [H][C@@]12[C@H](CC(N)=O)[C@@](C)(CCC(=O)NC[C@@H](C)O)C3=C(C)C4=[N]5C(=CC6=[N]7C(=C(C)C8=[N]([C@]1(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co++]57N23)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]4CCC(N)=O > InChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+3/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1 > FEESAGIUMZGLMF-JFYQDRLCSA-M > C48H72CoN11O8 > 990.0874 > 989.489733529 > 12 > 140 > 103.08589740362714 > 0 > 8 > 2 > 0 > [(1R,2R,3S,4S,6Z,8S,9S,11Z,14S,18R,19R)-4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-(2-{[(2R)-2-hydroxypropyl]carbamoyl}ethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobaltbis(ylium) > 0.93 > -3.235399999999994 > -5.55 > 1 > 5 > 5 > 15.761171631899767 > 14.992946520889234 > 8.801633671366092 > 348.18999999999994 > 252.89960000000008 > 20 > 0 > 3.02e-03 g/l > [(1R,2R,3S,4S,6Z,8S,9S,11Z,14S,18R,19R)-4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-(2-{[(2R)-2-hydroxypropyl]carbamoyl}ethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobaltbis(ylium) > 0 > Cobinamide > 13497-85-3 $$$$