4621 -OEChem-10051722483D 75 76 0 0 0 0 0 0 0999 V2000 -3.3646 -0.8803 0.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7317 -1.5969 1.2061 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5015 -5.4271 1.5554 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4521 0.3710 -0.9517 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0099 -2.3297 -0.5837 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5603 -2.6333 0.1336 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4414 1.3285 -0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -1.1689 -0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9277 2.0549 0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9571 -1.1507 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 0.5523 -0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 2.3180 -1.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5109 -1.1810 -2.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0148 0.0952 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9521 -1.5919 -0.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2751 -3.2193 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9813 -0.6828 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8518 -2.3065 0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6691 2.8756 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9036 0.0285 0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9872 0.5902 -2.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 -3.5189 -1.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5892 -3.6718 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4204 2.2878 0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0941 -0.0407 -0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7566 4.2203 0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 1.1858 1.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4757 -4.4438 1.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2594 3.0446 0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9671 1.0471 -0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5953 4.9770 0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4591 2.2737 1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3468 4.3890 0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6495 2.2042 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7191 2.7278 1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7747 1.3624 1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4747 -1.1983 1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 -2.0732 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5985 -0.0953 0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0494 -0.0788 -0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5367 1.2430 0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2711 1.8434 -2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5026 3.0521 -1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9314 2.9127 -1.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7523 -1.2915 -2.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 -0.2345 -2.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 -1.9682 -2.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5519 0.9825 -0.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1075 0.0318 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7185 0.3178 0.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0906 -0.9598 -1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3515 -2.0299 -1.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0894 -4.1753 0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2331 -3.3986 -1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8149 0.4935 -3.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2487 -0.1406 -2.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 1.5551 -2.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1975 -3.4110 -2.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9048 -4.4020 -0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4996 -3.7056 -1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5395 -4.3574 -0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6032 -3.2533 0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 1.2461 1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3555 -0.9371 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7225 4.6924 0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6665 1.2528 1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -4.9626 1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6063 -3.7772 2.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 2.5908 0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8944 0.9928 -0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6633 6.0242 -0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2127 3.1741 1.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5572 4.9786 0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3294 3.0511 0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4159 -5.8952 2.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 18 2 0 0 0 0 3 28 1 0 0 0 0 3 75 1 0 0 0 0 4 7 1 0 0 0 0 4 17 1 0 0 0 0 4 21 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 5 22 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 19 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 20 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 17 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 18 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 19 24 2 0 0 0 0 19 26 1 0 0 0 0 20 25 2 0 0 0 0 20 27 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 28 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 29 1 0 0 0 0 24 63 1 0 0 0 0 25 30 1 0 0 0 0 25 64 1 0 0 0 0 26 31 2 0 0 0 0 26 65 1 0 0 0 0 27 32 2 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 33 2 0 0 0 0 29 69 1 0 0 0 0 30 34 2 0 0 0 0 30 70 1 0 0 0 0 31 33 1 0 0 0 0 31 71 1 0 0 0 0 32 34 1 0 0 0 0 32 72 1 0 0 0 0 33 73 1 0 0 0 0 34 74 1 0 0 0 0 M END > DB12532 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FTLDJPRFCGDUFH-UHFFFAOYSA-N/SDF?record_type=3d > CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC1=CC=CC=C1)C(C)(C)CC1=CC=CC=C1 > InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3 > FTLDJPRFCGDUFH-UHFFFAOYSA-N > C28H41N3O3 > 467.654 > 467.314792192 > 4 > 75 > 52.94561823589641 > 1 > 1 > 0 > 0 > 2-[(2-hydroxyethyl)({[methyl(2-methyl-1-phenylpropan-2-yl)carbamoyl]methyl})amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide > 3.67 > 3.1574251363333317 > -4.66 > 0 > 2 > 0 > 15.591474572087765 > 5.776229604000039 > 64.09 > 138.52999999999997 > 12 > 1 > 1.02e-02 g/l > mucaine > 0 $$$$