Mrv1652309201616522D 121130 0 0 0 0 999 V2000 0.3164 6.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0274 5.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7803 6.3965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4914 5.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2026 6.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9555 5.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 6.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3777 5.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1306 6.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 5.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5530 6.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3059 5.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9751 6.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8305 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1159 1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8305 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1159 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4015 1.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2594 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0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 57 14 1 0 0 0 0 15 14 2 0 0 0 0 20 15 1 0 0 0 0 16 14 1 0 0 0 0 21 16 1 0 0 0 0 17 66 1 0 0 0 0 18 17 1 0 0 0 0 18 16 2 0 0 0 0 19 15 1 0 0 0 0 19 17 2 0 0 0 0 27 20 1 0 0 0 0 26 21 1 0 0 0 0 24 22 1 0 0 0 0 22 36 1 6 0 0 0 22 86 1 0 0 0 0 23 38 1 1 0 0 0 25 23 1 0 0 0 0 23 61 1 0 0 0 0 60 24 2 0 0 0 0 32 24 1 0 0 0 0 31 25 2 0 0 0 0 30 25 1 0 0 0 0 33 26 1 0 0 0 0 28 26 2 0 0 0 0 29 27 1 0 0 0 0 34 27 2 0 0 0 0 60 28 1 0 0 0 0 37 28 1 0 0 0 0 30 29 2 0 0 0 0 35 29 1 0 0 0 0 34 31 1 0 0 0 0 33 32 2 0 0 0 0 40 39 1 0 0 0 0 41 39 1 0 0 0 0 39 50 1 1 0 0 0 40 57 1 6 0 0 0 42 40 1 0 0 0 0 41 52 1 6 0 0 0 44 41 1 0 0 0 0 46 42 1 0 0 0 0 47 43 1 0 0 0 0 43 55 1 0 0 0 0 49 43 1 0 0 0 0 46 44 1 0 0 0 0 44 53 1 1 0 0 0 45 50 1 6 0 0 0 47 45 1 0 0 0 0 48 45 1 0 0 0 0 46 58 1 6 0 0 0 51 48 1 0 0 0 0 51 49 1 0 0 0 0 49 54 1 1 0 0 0 51 56 1 1 0 0 0 58 59 1 0 0 0 0 63 61 1 0 0 0 0 61 76 1 1 0 0 0 64 87 1 0 0 0 0 66 62 1 1 0 0 0 67 62 1 0 0 0 0 65 63 1 0 0 0 0 69 63 2 0 0 0 0 66 64 1 0 0 0 0 70 64 2 0 0 0 0 68 65 1 0 0 0 0 68 67 1 0 0 0 0 71 67 2 0 0 0 0 68 72 1 1 0 0 0 72 73 1 0 0 0 0 73 75 2 0 0 0 0 73 74 1 0 0 0 0 77 76 1 0 0 0 0 78 77 1 0 0 0 0 79 77 2 0 0 0 0 80 78 1 0 0 0 0 78 81 1 1 0 0 0 82 80 1 0 0 0 0 83 81 1 0 0 0 0 84 82 1 0 0 0 0 85 82 1 0 0 0 0 104101 1 0 0 0 0 88101 1 0 0 0 0 88 87 1 0 0 0 0 86 90 1 6 0 0 0 91 90 1 0 0 0 0 88 91 1 6 0 0 0 91 92 2 0 0 0 0 93 94 2 0 0 0 0 93 95 1 0 0 0 0 96 93 1 1 0 0 0 96106 1 0 0 0 0 96 97 1 0 0 0 0 98 86 1 0 0 0 0 89 98 2 0 0 0 0 98 97 1 0 0 0 0 100 99 2 0 0 0 0 101102 2 0 0 0 0 102 99 1 0 0 0 0 103104 2 0 0 0 0 103100 1 0 0 0 0 105100 1 0 0 0 0 106107 2 0 0 0 0 106109 1 0 0 0 0 107110 1 0 0 0 0 110108 2 0 0 0 0 108112 1 0 0 0 0 112109 2 0 0 0 0 110111 1 0 0 0 0 112113 1 0 0 0 0 109 99 1 0 0 0 0 114115 1 0 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117119 2 0 0 0 0 117120 1 0 0 0 0 108114 1 0 0 0 0 1121 1 0 0 0 0 43121 1 1 0 0 0 M END > DB06402 > drugbank > CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=C3OC4=CC=C(C=C4Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]4C(C=C2OC2=C(Cl)C=C(C=C2)[C@@H](O)[C@@H]2NC(=O)[C@H](NC4=O)C4=CC(=C(O)C=C4)C4=C(O)C(CNCP(O)(O)=O)=C(O)C=C4[C@H](NC2=O)C(O)=O)=C3)O[C@@H](C)[C@H]1O > InChI=1S/C80H106Cl2N11O27P/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114)/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-/m0/s1 > ONUMZHGUFYIKPM-MXNFEBESSA-N > C80H106Cl2N11O27P > 1755.65 > 1753.6374296 > 29 > 227 > 175.85442607473388 > 0 > 23 > 0 > 0 > (1S,2R,18R,19R,22S,25R,28R,40S)-22-(carbamoylmethyl)-5,47-dichloro-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-{[2-(decylamino)ethyl]amino}-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,18,32,35,37-pentahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-36-{[(phosphonomethyl)amino]methyl}-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),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid > 2.32 > -6.162542770621307 > -5.08 > 1 > 10 > 0 > 3.1551198330638965 > 1.5501921533565577 > 9.992810425153209 > 598.0899999999999 > 429.4118 > 30 > 0 > 1.48e-02 g/l > (1S,2R,18R,19R,22S,25R,28R,40S)-22-(carbamoylmethyl)-5,47-dichloro-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-{[2-(decylamino)ethyl]amino}-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,18,32,35,37-pentahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-36-{[(phosphonomethyl)amino]methyl}-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),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid > 0 > DB06402 > approved > Telavancin > Telavancin; Telavancina; Télavancine; Telavancinum > Vibativ > Telavancin hydrochloride $$$$