Mrv1909 05201915212D 79 83 0 0 1 0 999 V2000 10.0845 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7990 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5134 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2279 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9424 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6568 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3713 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0858 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8003 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5147 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2292 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9437 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6581 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3726 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0871 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8016 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5160 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2305 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2305 -15.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9450 -16.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6594 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3739 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3739 -17.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0884 -17.7501 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 25.0884 -18.5751 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 25.8029 -18.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5173 -18.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2318 -18.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2318 -19.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9463 -20.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9463 -21.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6607 -21.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3752 -21.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6607 -22.2876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.2482 -23.0021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.9933 -23.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6607 -24.2716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.9157 -25.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7407 -25.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9956 -24.2716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.7802 -24.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3933 -24.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1780 -24.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7910 -24.8658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.3495 -23.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3282 -23.7867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.9956 -23.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9094 -22.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0732 -23.0021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.1532 -25.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9782 -25.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7407 -26.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1532 -27.1997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.9157 -26.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5032 -27.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5032 -25.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6782 -25.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5173 -20.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8029 -19.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0884 -16.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8029 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8029 -17.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5173 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2318 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9463 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6607 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3752 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0897 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8042 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5186 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2331 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9476 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6620 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3765 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0910 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8054 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5199 -16.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2344 -16.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.9489 -16.1001 0.0000 C 0 0 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 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 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 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 35 34 1 0 0 0 0 35 36 1 6 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 40 39 1 0 0 0 0 40 41 1 6 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 46 40 1 0 0 0 0 46 37 1 0 0 0 0 46 47 1 1 0 0 0 47 48 1 0 0 0 0 46 49 1 0 0 0 0 49 34 1 6 0 0 0 49 35 1 0 0 0 0 39 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 2 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 38 56 1 0 0 0 0 56 57 2 0 0 0 0 29 58 1 0 0 0 0 58 59 2 0 0 0 0 26 59 1 0 0 0 0 22 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 61 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 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 M END > DB15372 > drugbank > CCCCCCCCCCCCCCCCCC(=O)OCC(CSSC1=CC=C(COC(=O)N2[C@H]3CN4C5=C([C@@H](COC(N)=O)[C@@]4(OC)[C@@H]23)C(=O)C(N)=C(C)C5=O)C=C1)OC(=O)CCCCCCCCCCCCCCCCC > InChI=1S/C62H98N4O11S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-52(67)74-43-48(77-53(68)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)45-78-79-49-39-37-47(38-40-49)42-76-61(72)66-51-41-65-56-54(58(70)55(63)46(3)57(56)69)50(44-75-60(64)71)62(65,73-4)59(51)66/h37-40,48,50-51,59H,5-36,41-45,63H2,1-4H3,(H2,64,71)/t48?,50-,51+,59+,62-,66?/m1/s1 > LIHIIWJRSSLKKX-YCTALCSSSA-N > C62H98N4O11S2 > 1139.6 > 1138.66735234 > 9 > 177 > 135.65221813019105 > 0 > 2 > 0 > 0 > (4-{[2,3-bis(octadecanoyloxy)propyl]disulfanyl}phenyl)methyl (4S,6S,7R,8S)-11-amino-8-[(carbamoyloxy)methyl]-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0^{2,7}.0^{4,6}]trideca-1(9),11-diene-5-carboxylate > 8.86 > 15.941406758666668 > -7.65 > 1 > 5 > 0 > 16.068779713474626 > 14.793249115479039 > -4.260290744878656 > 206.85999999999999 > 315.74089999999995 > 48 > 0 > 2.56e-05 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 > DB15372 > investigational > JNJ-27548547 > PROMITIL $$$$