Mrv2304 07132323092D 91 93 0 0 1 0 999 V2000 -17.1472 4.7437 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 -12.8604 -3.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -2.2687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.8604 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8604 -1.0312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.5749 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 -1.0312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.0038 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0038 0.2062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.2894 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 1.4437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.5749 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0038 1.8562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.0038 2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7183 1.4437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -16.4328 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.4328 2.6812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.7183 3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7183 3.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4328 4.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4328 5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7183 5.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0038 5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0038 4.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1472 3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1472 3.9187 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -17.8617 2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7183 0.6187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.4328 0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.1472 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8617 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1472 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 -1.8562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.0038 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0038 -3.0937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.2894 -3.5062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 -4.3312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.5749 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0038 -4.7437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.0038 -5.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7183 -4.3312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.4328 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7183 -3.5062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -16.4328 -3.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 -1.0312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7170 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5736 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5736 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8591 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1446 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7157 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0012 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1446 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8591 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7170 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8604 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0038 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7183 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1472 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8617 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 6 5 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 0 0 0 0 8 9 1 6 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 12 11 1 0 0 0 0 12 13 1 1 0 0 0 13 14 1 0 0 0 0 15 12 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 1 0 0 0 19 18 1 6 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 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 21 26 1 0 0 0 0 19 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 17 30 1 0 0 0 0 30 10 1 0 0 0 0 30 31 1 6 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 35 8 1 0 0 0 0 35 4 1 0 0 0 0 35 36 1 1 0 0 0 37 36 1 6 0 0 0 37 38 1 0 0 0 0 39 38 1 0 0 0 0 39 40 1 1 0 0 0 41 39 1 0 0 0 0 41 42 1 1 0 0 0 41 43 1 0 0 0 0 43 44 1 1 0 0 0 43 45 1 0 0 0 0 45 37 1 0 0 0 0 45 46 1 6 0 0 0 6 47 1 6 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 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 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 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 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 M CHG 2 1 1 28 -1 M END > DBSALT003378 > drugbank > [Na+].CC[C@H]1C[C@H](C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C([O-])=O)[C@H]2NC(C)=O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC > InChI=1S/C60H109N3O27.Na/c1-5-44-38-45(39-46(55(44)90-60-54(70)53(69)51(67)41(2)86-60)88-59-50(63-42(3)65)56(52(68)48(40-64)89-59)87-47(58(72)73)37-43-9-7-6-8-10-43)57(71)62-13-12-61-49(66)11-14-75-17-18-77-21-22-79-25-26-81-29-30-83-33-34-85-36-35-84-32-31-82-28-27-80-24-23-78-20-19-76-16-15-74-4;/h41,43-48,50-56,59-60,64,67-70H,5-40H2,1-4H3,(H,61,66)(H,62,71)(H,63,65)(H,72,73);/q;+1/p-1/t41-,44-,45+,46+,47-,48+,50+,51+,52-,53+,54-,55+,56+,59+,60-;/m0./s1 > PXEZBPFEQYCSGD-CVDXTIKBSA-M > C60H108N3NaO27 > 1326.508 > 1325.70678951 > 27 > 199 > 2.879268372690733 > 145.22284468117618 > 0 > 8 > 0 > 0 > sodium (2S)-3-cyclohexyl-2-{[(2R,3R,4R,5R,6R)-2-{[(1R,2R,3S,5R)-5-{[2-(2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaoctatriacontan-38-amido)ethyl]carbamoyl}-3-ethyl-2-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclohexyl]oxy}-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanoate > -2.0585863884577793 > 1 > 0 > 4 > 0 > 11.98075700256565 > 3.7719734622396377 > 2.787382185429046 > 385.4900000000001 > 328.9187 > 52 > 0 > sodium (2S)-3-cyclohexyl-2-{[(2R,3R,4R,5R,6R)-2-{[(1R,2R,3S,5R)-5-{[2-(2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaoctatriacontan-38-amido)ethyl]carbamoyl}-3-ethyl-2-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclohexyl]oxy}-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanoate > 0 > DBSALT003378 > Uproleselan sodium > DB14829 > Uproleselan > 1914993-95-5 > 17ZJN0Q4CJ $$$$