Mrv1909 11181917512D 81 81 0 0 0 0 999 V2000 4.8668 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4440 -2.1063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0970 -2.2446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 -1.8349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4983 -2.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4496 -1.2741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0203 -0.2325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1555 -0.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0227 0.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0056 -0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7520 1.0737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0275 0.5802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5619 1.6008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2756 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8944 2.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5013 1.6253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0913 2.1618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3777 2.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9486 2.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7752 2.5734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7352 3.4479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6758 3.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8061 1.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0217 0.7428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8624 -0.7429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5477 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 -2.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4968 -0.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 -2.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1023 -3.0095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3892 -2.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9819 4.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2841 5.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9073 4.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3429 2.9593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 2.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9826 3.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3692 3.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9188 -0.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5573 -0.4814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5790 -2.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9894 -3.6195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 -3.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 -3.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7133 -3.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6525 2.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 2.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3574 3.6320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4953 1.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1754 0.6279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7546 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0978 0.0350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5240 -0.7015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3765 -0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -1.4464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6635 -1.4464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0938 -2.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9463 -2.1872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3767 -2.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2292 -2.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6596 -3.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5120 -3.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1664 -0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5071 0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3307 0.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7441 1.4633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9641 -0.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3982 -2.1607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8129 -2.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5747 -2.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6803 -2.9011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3541 -1.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1777 -1.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5896 -0.7554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6427 -2.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9217 -4.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7453 -4.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1590 -5.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9826 -5.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1542 -3.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 40 41 1 0 0 0 0 1 3 1 0 0 0 0 30 42 1 0 0 0 0 19 21 1 0 0 0 0 42 43 1 0 0 0 0 20 21 1 0 0 0 0 1 44 2 0 0 0 0 2 4 1 0 0 0 0 31 45 1 0 0 0 0 20 22 2 0 0 0 0 31 46 1 6 0 0 0 3 5 1 0 0 0 0 18 47 1 1 0 0 0 19 23 1 6 0 0 0 47 48 1 0 0 0 0 4 27 1 0 0 0 0 48 49 1 0 0 0 0 12 24 1 1 0 0 0 15 50 2 0 0 0 0 5 6 1 0 0 0 0 13 51 1 6 0 0 0 10 25 2 0 0 0 0 51 52 1 0 0 0 0 26 27 1 0 0 0 0 52 53 1 0 0 0 0 6 7 1 0 0 0 0 53 54 1 1 0 0 0 26 8 1 0 0 0 0 54 55 1 0 0 0 0 7 9 1 0 0 0 0 55 56 1 0 0 0 0 8 10 1 0 0 0 0 56 57 1 6 0 0 0 27 28 2 0 0 0 0 57 58 1 0 0 0 0 26 29 1 1 0 0 0 58 59 1 0 0 0 0 9 11 1 0 0 0 0 59 60 1 1 0 0 0 2 30 1 6 0 0 0 60 61 1 0 0 0 0 10 12 1 0 0 0 0 61 62 1 0 0 0 0 5 31 1 0 0 0 0 62 63 1 0 0 0 0 11 13 1 0 0 0 0 52 64 2 0 0 0 0 6 32 2 0 0 0 0 53 65 1 0 0 0 0 12 14 1 0 0 0 0 65 66 1 0 0 0 0 23 33 1 0 0 0 0 66 67 1 0 0 0 0 13 15 1 0 0 0 0 55 68 2 0 0 0 0 33 34 1 0 0 0 0 56 69 1 0 0 0 0 14 16 1 0 0 0 0 69 70 1 1 0 0 0 33 35 1 0 0 0 0 69 71 1 0 0 0 0 15 17 1 0 0 0 0 58 72 2 0 0 0 0 16 36 2 0 0 0 0 59 73 1 0 0 0 0 16 19 1 0 0 0 0 73 74 1 0 0 0 0 24 37 1 0 0 0 0 74 75 1 0 0 0 0 17 18 1 0 0 0 0 61 76 2 0 0 0 0 37 38 1 0 0 0 0 63 77 1 0 0 0 0 18 20 1 0 0 0 0 77 78 1 0 0 0 0 37 39 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 29 40 1 0 0 0 0 78 81 1 0 0 0 0 M END > DB00803 > drugbank > CCC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)C(NC(=O)[C@@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O > InChI=1S/C52H98N16O13/c1-9-29(6)11-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-27(2)3)66-50(79)39(26-28(4)5)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t29?,30-,31-,32+,33+,34+,35+,36-,37+,38-,39?,41?,42+/m1/s1 > YKQOSKADJPQZHB-BRLOSWAASA-N > C52H98N16O13 > 1155.455 > 1154.74992728 > 18 > 179 > 123.31924797137629 > 0 > 18 > 0 > 0 > N-[(1S)-3-amino-1-{[(1S,2R)-1-{[(1S)-3-amino-1-{[(6R,9S,12R,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propyl]-5-methylheptanamide > -1.29 > -8.09595548433333 > -3.69 > 0 > 1 > 5 > 12.062277296142236 > 11.59561031432966 > 10.230877316890583 > 490.6599999999998 > 297.6691000000001 > 28 > 0 > 2.38e-01 g/l > demeclocycline hydrochloride > 0 > DB00803 > APRD00886 > approved > Colistin > Colimycin; Colistin; Colistina; Colistine; Colistinum; Kolimycin; Polymyxin E > Coly-Mycin S; Cortisporin TC; Cortisporin-TC > Alfacolin; Alficetin; ColiFin; Colimicina; Colimycine; Coliracin; Colistate; Colomycin; Coly-Mycin; Diarönt mono; Promixin; Tadim; Walamycin > Colistin sulfate $$$$