Mrv1652306231722452D 87 84 0 0 1 0 999 V2000 -15.8215 -8.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4090 -7.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5840 -7.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1715 -6.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3465 -6.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9340 -6.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1090 -6.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6965 -5.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8715 -5.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4590 -4.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6340 -4.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2215 -4.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3965 -4.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9840 -3.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1590 -3.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7465 -2.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1590 -1.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9215 -2.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5090 -1.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 -1.9868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2715 -1.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4465 -1.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -0.5579 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.3195 -0.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7484 -0.1454 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6215 0.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7965 0.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 0.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 0.8710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1465 1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6785 1.5855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0910 0.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 2.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3285 1.5855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3285 3.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 3.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 3.7289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1535 4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 5.1579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3285 4.4434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 3.7289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8035 4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 5.1579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6285 4.4434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0410 3.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0410 5.1579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 5.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 4.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 5.8723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8660 6.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1035 5.8723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 6.5868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3410 6.5868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7535 5.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3410 5.1579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7535 7.3013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5785 7.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9910 8.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9910 6.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1035 7.3013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5160 8.0157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1035 8.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 9.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3410 8.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 7.3013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2715 -2.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4465 -2.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -1.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -3.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -3.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7965 -4.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9715 -4.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 -4.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -4.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6785 -5.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5035 -5.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -6.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 -6.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 -6.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9785 -6.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -7.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2160 -7.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6285 -8.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3482 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4629 0.2671 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 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 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 1 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 39 43 1 6 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 1 1 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 51 52 1 1 0 0 0 51 53 1 0 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 55 58 1 1 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 59 61 1 0 0 0 0 54 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 63 66 1 1 0 0 0 62 67 1 6 0 0 0 20 68 1 6 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 69 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 M CHG 2 25 -1 87 1 M END > DB13615 > drugbank > O.[Na+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCCNC(=O)[C@H](C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](NC(C)=O)C=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC > InChI=1S/C59H109N6O19P.Na.H2O/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-52(71)80-41-47(84-53(72)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)42-82-85(78,79)81-38-37-61-57(75)43(3)62-51(70)36-35-48(56(60)74)65-58(76)44(4)63-59(77)45(5)83-55(54(73)50(69)40-67)49(39-66)64-46(6)68;;/h39,43-45,47-50,54-55,67,69,73H,7-38,40-42H2,1-6H3,(H2,60,74)(H,61,75)(H,62,70)(H,63,77)(H,64,68)(H,65,76)(H,78,79);;1H2/q;+1;/p-1/t43-,44-,45+,47+,48+,49-,50+,54+,55+;;/m0../s1 > NGIYLSFJGRLEMI-MHTUOZSYSA-M > C59H110N6NaO20P > 1277.515 > 1276.74102124 > 15 > 197 > 139.44079166428418 > 0 > 9 > 0 > 0 > sodium (2R)-1-({2-[(2S)-2-[(4R)-4-carbamoyl-4-[(2S)-2-[(2R)-2-{[(2R,3R,4R,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxy}propanamido]propanamido]butanamido]propanamido]ethyl phosphono}oxy)-3-(hexadecanoyloxy)propan-2-yl hexadecanoate hydrate > 5.50 > 5.566524969000003 > -5.98 > 0 > 0 > -1 > 11.575234355939532 > 1.9037213972929434 > -3.517259765375875 > 386.77000000000004 > 314.96370000000013 > 58 > 0 > 1.32e-03 g/l > sodium (2R)-1-({2-[(2S)-2-[(4R)-4-carbamoyl-4-[(2S)-2-[(2R)-2-{[(2R,3R,4R,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxy}propanamido]propanamido]butanamido]propanamido]ethyl phosphono}oxy)-3-(hexadecanoyloxy)propan-2-yl hexadecanoate hydrate > 0 > DB13615 > approved; experimental > Mifamurtide > Mifamurtida; Mifamurtide > Mepact $$$$