Mrv1909 03102002132D 97 99 0 0 0 0 999 V2000 -6.9489 2.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 -5.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0911 1.9732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9101 -6.5108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0911 5.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9101 -3.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9476 4.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2332 -4.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6621 6.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3766 8.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5188 -1.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5186 6.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6622 -1.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2331 1.9732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9477 -6.5108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2345 1.5607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0536 -6.9233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8055 3.2107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6246 -5.2733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5199 0.3232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 -8.1607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2345 4.0358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0536 -4.4483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9489 0.3232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 -8.1607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3766 4.0358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8055 6.5107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1956 -4.4483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6246 -1.9733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2345 5.6857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3766 5.6857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0536 -2.7983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1956 -2.7983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2331 5.2733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9477 -3.2108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9102 6.5107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0911 -1.9733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6621 1.9732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5188 -6.5108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7681 5.6857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9490 -2.7983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9476 0.7358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2332 -7.7483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5199 1.9732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3390 -6.5108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5199 2.7982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3390 -5.6858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8055 1.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6246 -6.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8055 0.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6246 -7.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2345 3.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0536 -5.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2345 0.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0536 -7.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5199 4.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0911 2.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9101 -5.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5199 5.2733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3390 -3.2108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3766 3.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1956 -5.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6621 5.2733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8055 5.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5188 -3.2108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6246 -2.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0911 6.9233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9101 -1.5608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9476 5.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2332 -2.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6621 4.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5188 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9102 5.6857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0911 -2.7983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3766 6.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1956 -1.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6247 5.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1957 5.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8056 -3.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3766 -3.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6621 2.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5188 -5.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0911 7.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9101 -0.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3391 5.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5186 5.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5199 -2.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6622 -2.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0536 5.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2345 -3.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9476 1.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2332 -6.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2345 2.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0536 -6.0983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8055 2.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6246 -6.0983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 52 2 0 0 0 0 2 53 2 0 0 0 0 3 58 2 0 0 0 0 4 59 2 0 0 0 0 5 65 2 0 0 0 0 6 67 2 0 0 0 0 7 72 2 0 0 0 0 8 73 2 0 0 0 0 9 76 2 0 0 0 0 10 84 1 0 0 0 0 11 77 2 0 0 0 0 12 87 2 0 0 0 0 13 89 2 0 0 0 0 14 92 2 0 0 0 0 15 93 2 0 0 0 0 16 44 1 0 0 0 0 16 54 1 0 0 0 0 17 45 1 0 0 0 0 17 55 1 0 0 0 0 18 46 1 0 0 0 0 18 58 1 0 0 0 0 19 47 1 0 0 0 0 19 59 1 0 0 0 0 20 50 1 0 0 0 0 20 54 2 0 0 0 0 21 51 1 0 0 0 0 21 55 2 0 0 0 0 22 52 1 0 0 0 0 22 56 1 0 0 0 0 23 53 1 0 0 0 0 23 57 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 62 1 0 0 0 0 26 72 1 0 0 0 0 27 65 1 0 0 0 0 27 68 1 0 0 0 0 28 63 1 0 0 0 0 28 73 1 0 0 0 0 29 67 1 0 0 0 0 29 69 1 0 0 0 0 60 30 1 6 0 0 0 31 64 1 0 0 0 0 31 76 1 0 0 0 0 61 32 1 6 0 0 0 33 66 1 0 0 0 0 33 77 1 0 0 0 0 34 70 1 0 0 0 0 34 87 1 0 0 0 0 35 71 1 0 0 0 0 35 89 1 0 0 0 0 74 36 1 1 0 0 0 75 37 1 1 0 0 0 38 82 1 0 0 0 0 38 92 1 0 0 0 0 39 83 1 0 0 0 0 39 93 1 0 0 0 0 40 90 1 0 0 0 0 41 91 1 0 0 0 0 42 92 1 0 0 0 0 43 93 1 0 0 0 0 44 46 1 1 0 0 0 44 48 1 0 0 0 0 44 94 1 6 0 0 0 45 47 1 1 0 0 0 45 49 1 0 0 0 0 45 95 1 6 0 0 0 46 52 1 0 0 0 0 46 96 1 6 0 0 0 47 53 1 0 0 0 0 47 97 1 6 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 56 60 1 0 0 0 0 57 61 1 0 0 0 0 58 62 1 0 0 0 0 59 63 1 0 0 0 0 60 65 1 0 0 0 0 61 67 1 0 0 0 0 62 82 2 0 0 0 0 63 83 2 0 0 0 0 64 70 1 1 0 0 0 64 72 1 0 0 0 0 66 71 1 1 0 0 0 66 73 1 0 0 0 0 68 76 1 0 0 0 0 68 84 1 1 0 0 0 69 77 1 0 0 0 0 69 85 1 1 0 0 0 74 78 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 75 81 1 0 0 0 0 78 86 1 0 0 0 0 79 87 1 0 0 0 0 80 88 1 0 0 0 0 81 89 1 0 0 0 0 86 90 1 0 0 0 0 88 91 1 0 0 0 0 M END > DB00314 > drugbank > [H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O.[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O > InChI=1S/C25H44N14O8.C25H44N14O7/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14;1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47);10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46)/b15-9+;16-10+/t11-,12-,13+,14-,16-,18-;11-,12-,13-,14+,15-,18-/m00/s1 > VCOPTHOUUNAYKQ-WBTCAYNUSA-N > C50H88N28O15 > 1321.4123 > 1320.698394286 > 14 > 181 > 3.5433146471687293 > 65.96622475141373 > 0 > 14 > 0 > 0 > (3S)-3,6-diamino-N-{[(2S,5S,8E,11S,15S)-15-amino-11-[(4R)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5-yl]methyl}hexanamide; (3S)-3,6-diamino-N-{[(2S,5S,8E,11S,15S)-15-amino-11-[(4R)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-8-[(carbamoylamino)methylidene]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5-yl]methyl}hexanamide > -3.23 > -11.191733280524872 > -2.65 > 1 > 4 > 4 > 3 > 10.93815355188855 > 10.622466742093017 > 10.30216585333644 > 378.41999999999985 > 162.20489999999998 > 19 > 0 > 1.48e+00 g/l > ENTA > 0 > DB00314 > APRD00844 > approved > Capreomycin > Capreomicina; Capreomycin > Capastat Pws Im 1g Vial; Capastat Sulfate; Capastat sulfate; Capreomycin Sulfate > Capastat; Capreomycin; Helpomycin; Kapocin; Lykocin > Capreomycin sulfate $$$$