Mrv1909 02192017472D 115118 0 0 0 0 999 V2000 -3.9187 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0938 2.5006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 1.7862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8562 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 1.0716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6187 1.0716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2062 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6187 0.3572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0312 -0.3572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8562 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 -1.0716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0938 -1.0716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0437 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4563 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2813 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0437 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3772 -4.0299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0916 -4.4424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7438 -3.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5687 -3.9296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 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0 0 -2.5752 -1.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1563 3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5687 3.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3937 3.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8063 4.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6312 4.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0437 5.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8688 5.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2813 6.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 -4.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9482 -4.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2338 -4.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9482 -3.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2338 -5.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5192 -5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1951 -5.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1951 -4.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5192 -4.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9813 -4.6441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5192 -3.2050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3312 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3312 5.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7438 6.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5687 6.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3312 6.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0437 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4563 -3.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5687 -5.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8063 -4.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9813 -6.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5687 -6.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8063 -6.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32 55 2 0 0 0 0 17 18 1 0 0 0 0 33 56 1 1 0 0 0 33 34 1 0 0 0 0 56 57 1 0 0 0 0 34 35 1 0 0 0 0 57 58 1 0 0 0 0 33 32 1 0 0 0 0 58 59 1 0 0 0 0 35 28 1 0 0 0 0 35 60 2 0 0 0 0 30 27 1 0 0 0 0 18 19 1 0 0 0 0 46 61 1 1 0 0 0 29 36 1 0 0 0 0 10 62 2 0 0 0 0 9 10 1 0 0 0 0 9 63 1 0 0 0 0 26 37 1 0 0 0 0 63 64 1 0 0 0 0 3 2 1 6 0 0 0 64 65 2 0 0 0 0 37 38 1 0 0 0 0 64 66 1 0 0 0 0 10 11 1 0 0 0 0 7 67 2 0 0 0 0 38 39 1 0 0 0 0 6 68 1 0 0 0 0 20 21 1 1 0 0 0 68 69 1 0 0 0 0 39 40 1 0 0 0 0 69 70 2 0 0 0 0 21 22 1 0 0 0 0 69 71 1 0 0 0 0 40 41 1 0 0 0 0 4 72 2 0 0 0 0 6 5 1 6 0 0 0 3 73 1 0 0 0 0 41 42 1 0 0 0 0 1 74 1 0 0 0 0 12 11 1 6 0 0 0 1 75 2 0 0 0 0 42 43 1 0 0 0 0 73 76 1 0 0 0 0 43 25 1 0 0 0 0 23 22 1 0 0 0 0 76 80 1 0 0 0 0 79 77 1 0 0 0 0 77 78 1 0 0 0 0 78 76 2 0 0 0 0 20 19 1 0 0 0 0 1 2 1 0 0 0 0 17 44 1 0 0 0 0 23 24 1 0 0 0 0 44 45 1 0 0 0 0 24 25 1 0 0 0 0 79 80 2 0 0 0 0 80 81 1 0 0 0 0 81 82 2 0 0 0 0 82 83 1 0 0 0 0 83 84 2 0 0 0 0 84 79 1 0 0 0 0 45 46 1 0 0 0 0 74 85 1 0 0 0 0 46 12 1 0 0 0 0 85 86 1 0 0 0 0 12 36 1 0 0 0 0 86 87 1 0 0 0 0 6 7 1 0 0 0 0 87 88 1 0 0 0 0 44 47 2 0 0 0 0 88 89 1 0 0 0 0 13 14 2 0 0 0 0 89 90 1 0 0 0 0 19 48 2 0 0 0 0 90 91 1 0 0 0 0 26 27 1 0 0 0 0 91 92 1 0 0 0 0 22 49 2 0 0 0 0 17 93 1 1 0 0 0 3 4 1 0 0 0 0 93 94 1 0 0 0 0 25 50 2 0 0 0 0 94 95 1 0 0 0 0 14 15 1 0 0 0 0 94 96 2 0 0 0 0 41 51 2 0 0 0 0 40 16 1 1 0 0 0 28 29 1 0 0 0 0 38 52 2 0 0 0 0 7 8 1 0 0 0 0 95 97 2 0 0 0 0 97 98 1 0 0 0 0 98 99 2 0 0 0 0 99100 1 0 0 0 0 100101 2 0 0 0 0 101 95 1 0 0 0 0 37 53 1 6 0 0 0 20102 1 0 0 0 0 14 16 1 0 0 0 0 27 54 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 101103 1 0 0 0 0 9 8 1 6 0 0 0 4 5 1 0 0 0 0 36104 2 0 0 0 0 30105 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106108 2 0 0 0 0 23109 1 6 0 0 0 109110 1 0 0 0 0 102111 1 0 0 0 0 102112 1 6 0 0 0 111113 1 0 0 0 0 113114 2 0 0 0 0 113115 1 0 0 0 0 M END > DB00080 > drugbank > CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](CC(=O)C2=CC=CC=C2N)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)CNC1=O)[C@H](C)CC(O)=O > InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45-,46+,47+,48+,49+,50-,60+,61+/m1/s1 > DOAKLVKFURWEDJ-QCMAZARJSA-N > C72H101N17O26 > 1620.693 > 1619.71036644 > 27 > 216 > -2.999678129904679 > 158.9587876001736 > 0 > 22 > 0 > 0 > (3S)-3-{[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]carbamoyl}-3-[(2R)-3-carbamoyl-2-[(2S)-2-decanamido-3-(1H-indol-3-yl)propanamido]propanamido]propanoic acid > -0.47 > -9.365402671272518 > -4.97 > 1 > -3 > 4 > -3 > 3.409770946991841 > 2.976647328600277 > 9.593421979944157 > 702.0200000000002 > 393.5654000000003 > 35 > 0 > 1.73e-02 g/l > nitrilotriacetic acid > 0 > DB00080 > BTD00111; BIOD00111 > approved; investigational > Daptomycin > Daptomicina; Daptomycin; Daptomycine; Daptomycinum > Cubicin; Cubicin RF; Daptomycin; Daptomycin Hospira; Daptomycin for Injection; Daptomycin for Injection RF; Daptomycin in Sodium Chloride; Dapzura RT > Cidecin; Cubicin $$$$