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1 0 0 0 0 16 17 1 0 0 0 0 28 3 1 0 0 0 0 29 34 2 0 0 0 0 33 30 2 0 0 0 0 3 4 1 0 0 0 0 30 31 1 0 0 0 0 12 21 1 0 0 0 0 31 32 2 0 0 0 0 32 29 1 0 0 0 0 33 34 1 0 0 0 0 10 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 27 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 1 5 2 0 0 0 0 21 22 2 0 0 0 0 9 10 1 0 0 0 0 21 23 1 0 0 0 0 19 24 2 0 0 0 0 4 35 1 0 0 0 0 1 2 1 0 0 0 0 35 36 1 0 0 0 0 51 57 1 0 0 0 0 49 52 1 6 0 0 0 53 54 1 0 0 0 0 54 70 1 1 0 0 0 55 68 1 0 0 0 0 63 56 1 1 0 0 0 57 62 1 0 0 0 0 58 52 1 0 0 0 0 59 55 1 0 0 0 0 60 65 1 0 0 0 0 61 53 1 0 0 0 0 76 62 1 1 0 0 0 63 59 1 0 0 0 0 51 64 1 1 0 0 0 65 74 1 0 0 0 0 66 90 1 0 0 0 0 67 56 1 0 0 0 0 68 58 1 6 0 0 0 69 54 1 0 0 0 0 70 60 1 0 0 0 0 71 82 1 0 0 0 0 72 63 1 0 0 0 0 73 61 1 0 0 0 0 74 92 1 0 0 0 0 75 66 1 0 0 0 0 76 67 1 0 0 0 0 77 89 1 6 0 0 0 78 64 1 0 0 0 0 79 69 1 0 0 0 0 80 49 1 0 0 0 0 81 51 1 0 0 0 0 82 77 1 0 0 0 0 83 77 1 0 0 0 0 84 68 1 0 0 0 0 85 94 1 0 0 0 0 86 76 1 0 0 0 0 87 80 1 0 0 0 0 88 81 1 0 0 0 0 89 53 1 0 0 0 0 90 72 2 0 0 0 0 91 72 1 0 0 0 0 92108 1 0 0 0 0 93 75 1 0 0 0 0 94 83 1 0 0 0 0 95 93 1 0 0 0 0 96 99 1 0 0 0 0 97 86 1 0 0 0 0 98 95 2 0 0 0 0 99 87 2 0 0 0 0 100 78 1 0 0 0 0 101 57 2 0 0 0 0 102 59 2 0 0 0 0 103 58 2 0 0 0 0 104 67 2 0 0 0 0 105 78 2 0 0 0 0 106 87 1 0 0 0 0 107109 1 0 0 0 0 108106 2 0 0 0 0 109 93 2 0 0 0 0 110 97 2 0 0 0 0 111100 1 0 0 0 0 71112 1 1 0 0 0 61113 1 1 0 0 0 73114 1 6 0 0 0 115 97 1 0 0 0 0 100116 1 6 0 0 0 85117 1 1 0 0 0 118 96 1 0 0 0 0 80119 1 6 0 0 0 120 95 1 0 0 0 0 81121 1 1 0 0 0 79122 1 1 0 0 0 71123 1 6 0 0 0 124122 1 0 0 0 0 94125 1 1 0 0 0 126111 1 0 0 0 0 127116 1 0 0 0 0 128126 1 0 0 0 0 129126 1 0 0 0 0 53130 1 1 0 0 0 96 92 2 0 0 0 0 91 65 2 0 0 0 0 60 66 2 0 0 0 0 79 73 1 0 0 0 0 98 88 1 0 0 0 0 88107 2 0 0 0 0 85 71 1 0 0 0 0 17 25 1 6 0 0 0 40131 1 1 0 0 0 131 37 1 0 0 0 0 36 37 1 0 0 0 0 131132 2 0 0 0 0 10 28 2 0 0 0 0 84133 2 0 0 0 0 17 18 1 0 0 0 0 133134 1 0 0 0 0 18 26 1 1 0 0 0 134135 2 0 0 0 0 26 9 1 0 0 0 0 135136 1 0 0 0 0 20 29 1 0 0 0 0 136137 2 0 0 0 0 137 84 1 0 0 0 0 18 19 1 0 0 0 0 135138 1 0 0 0 0 38134 1 0 0 0 0 M CHG 2 23 -1 29 1 M END > DB05735 > drugbank > [H][C@]12SCC(C[N+]3=CC=CC=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCCCNC(=O)[C@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)C4=CC=C(OC5=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@]6([H])O[C@H]6C[C@](C)(N)[C@H](O)[C@H](C)O6)C(OC6=C(Cl)C=C(C=C6)[C@H]2O)=CC3=C5)C(Cl)=C4)C2=CC(=C(O)C=C2)C2=C1C=C(O)C=C2O)\C1=C(Cl)SC(N)=N1)C([O-])=O > InChI=1S/C87H95Cl3N16O28S2/c1-33(2)20-45(94-5)74(117)100-62-66(112)36-11-14-49(43(88)22-36)130-51-24-38-25-52(70(51)134-85-71(69(115)68(114)53(31-107)132-85)133-55-29-87(4,93)72(116)34(3)129-55)131-50-15-12-37(23-44(50)89)67(113)63-81(124)99-59(42-26-40(108)27-48(110)56(42)41-21-35(10-13-47(41)109)57(77(120)101-63)98-78(121)58(38)97-75(118)46(28-54(91)111)96-80(62)123)76(119)95-16-9-19-128-104-61(60-73(90)136-86(92)103-60)79(122)102-64-82(125)106-65(84(126)127)39(32-135-83(64)106)30-105-17-7-6-8-18-105/h6-8,10-15,17-18,21-27,33-34,45-46,53,55,57-59,62-64,66-69,71-72,83,85,94,107,112-116H,9,16,19-20,28-32,93H2,1-5H3,(H15-,91,92,95,96,97,98,99,100,101,102,103,104,108,109,110,111,117,118,119,120,121,122,123,124,126,127)/t34-,45+,46-,53+,55-,57+,58+,59-,62+,63-,64+,66+,67+,68+,69-,71+,72+,83+,85-,87-/m0/s1 > OGUAFUAJSPORAH-KHCCTVBNSA-N > C87H95Cl3N16O28S2 > 1983.27 > 1980.5008719 > 31 > 231 > 4.006300434366764 > 191.83242290993738 > 0 > 21 > 0 > 0 > 1-{[(6R,7R)-7-[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-[(3-{[(1S,2R,18R,19R,22S,25R,28R,40S)-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-5,47-dichloro-2,18,32,35,37-pentahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^{3,6}.2^{14,17}.1^{8,12}.1^{29,33}.0^{10,25}.0^{34,39}]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-40-yl]formamido}propoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium > 0.88 > -7.802874074908357 > -4.95 > 1 > 2 > 14 > 2 > 8.32081389737883 > 2.3143500302927538 > 9.814993671028143 > 676.21 > 488.7776 > 24 > 0 > 2.30e-02 g/l > 1-{[(6R,7R)-7-[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-[(3-{[(1S,2R,18R,19R,22S,25R,28R,40S)-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-5,47-dichloro-2,18,32,35,37-pentahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^{3,6}.2^{14,17}.1^{8,12}.1^{29,33}.0^{10,25}.0^{34,39}]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-40-yl]formamido}propoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium > 0 > DB05735 > investigational > Cefilavancin > Cefilavancin $$$$