10893439 -OEChem-02281911453D 60 60 0 1 0 0 0 0 0999 V2000 4.4759 -0.1761 -1.1145 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -1.3964 0.2699 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2004 1.7299 2.4761 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7184 3.0872 0.4234 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7685 -1.1312 2.4222 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4433 1.0472 -3.3258 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4061 1.0609 1.4938 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4471 1.8818 0.2034 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9747 -0.3371 1.2594 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8425 1.1003 -0.9709 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3406 -1.0078 0.0397 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0149 1.8349 -2.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5653 -2.3902 -0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1196 -2.7809 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 -1.5859 -0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2743 -1.9997 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -0.8463 -0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -1.2666 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7233 -0.1161 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1747 -0.4495 0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1380 0.7224 0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6008 0.3620 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5697 1.5228 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9950 1.1344 0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3902 1.0083 1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4831 2.1633 -0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0585 -0.2535 1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7672 0.9388 -0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9235 -1.9176 -0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5193 2.8103 -2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0758 1.9714 -2.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6531 -2.0099 -1.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1983 -3.2798 -0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0544 -3.1946 0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8127 -3.5673 -1.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4708 -0.7959 0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2165 -1.1631 -1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3205 -2.4137 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5753 -2.8031 -0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9861 -0.0476 0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2213 -0.4234 -1.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7757 -1.6787 1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0093 -2.0720 -0.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3903 0.7140 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6944 0.2561 -1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1131 1.7811 2.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7896 2.8506 0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1354 -2.0137 2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2186 -0.7779 1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5051 -1.2977 -0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0522 1.0819 -0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8385 1.5534 0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8922 -0.4812 -0.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6875 0.0165 1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5664 1.5311 -4.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5331 1.8347 -0.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2664 2.3842 0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0680 0.8511 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6725 1.9764 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3386 0.2911 -0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 46 1 0 0 0 0 4 8 1 0 0 0 0 4 47 1 0 0 0 0 5 9 1 0 0 0 0 5 48 1 0 0 0 0 6 12 1 0 0 0 0 6 55 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 M END > DB14746 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PYIDGJJWBIBVIA-IHAUNJBESA-N/SDF?record_type=3d > CCCCCCCCCCCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18?/m1/s1 > PYIDGJJWBIBVIA-IHAUNJBESA-N > C18H36O6 > 348.48 > 348.251188879 > 6 > 60 > 41.67944365815345 > 1 > 4 > 0 > 1 > (3R,4S,5S,6R)-2-(dodecyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol > 3.14 > 2.5910356203333342 > -2.69 > 0 > 1 > 0 > 13.200256715324073 > 12.210987486903667 > -2.9810834105517934 > 99.38000000000001 > 91.35620000000002 > 13 > 1 > 7.20e-01 g/l > N-[(1S)-3-amino-1-{[(1S,2R)-1-{[(1S)-3-amino-1-{[(3S,6S,9S,12S,15R,18R,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(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]-6-methyloctanamide > 0 $$$$