23653502 -OEChem-10051720573D 58 59 0 1 0 0 0 0 0999 V2000 2.1120 -1.6702 -0.1496 P 0 0 2 0 0 0 0 0 0 0 0 0 1.9855 -0.7226 1.1587 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3502 -2.6350 0.2461 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 -0.9292 -1.4402 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5345 -1.0208 0.1949 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9121 -2.9685 1.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6472 1.8756 3.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7344 0.7344 3.4438 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -1.8329 -0.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0857 3.0296 -2.4188 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -2.7341 -0.0832 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5578 -3.8806 -1.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4773 -3.3481 -2.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -4.9065 -0.9985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9857 0.2493 1.4072 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0432 1.2132 0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6643 -2.0313 0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9309 1.9815 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7037 0.9452 2.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2076 1.3068 -0.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9844 2.8703 -1.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2612 2.1959 -1.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1496 2.9775 -1.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7961 3.7062 -1.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8167 -1.0975 0.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6947 0.0461 0.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6823 1.2183 1.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5283 -0.0569 -0.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5036 2.2875 0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3495 1.0122 -1.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3372 2.1845 -0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6453 -3.1799 0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -4.4121 -0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4112 -2.8717 -2.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2892 -4.1724 -3.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3378 -2.6293 -2.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6422 -4.4969 -1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -5.7820 -1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8007 -5.2513 0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -1.0229 -0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9373 -0.2805 1.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2617 -2.2736 0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0215 1.8935 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 0.7019 -0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1681 2.2784 -2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2037 3.6650 -2.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 3.9471 -0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1109 4.6683 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6809 -1.1114 1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2995 -2.0437 0.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 2.3332 3.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4282 2.8125 -3.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 2.1396 -2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0355 1.3118 2.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5454 -0.9640 -1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4936 3.2005 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9981 0.9324 -1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9764 3.0171 -0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 11 1 0 0 0 0 2 15 1 0 0 0 0 3 42 1 0 0 0 0 5 17 1 0 0 0 0 5 25 1 0 0 0 0 6 17 2 0 0 0 0 7 19 1 0 0 0 0 7 51 1 0 0 0 0 8 19 2 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 40 1 0 0 0 0 10 24 1 0 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 18 21 2 0 0 0 0 18 43 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 28 30 2 0 0 0 0 28 55 1 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 M END > DB07157 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RTFGEFWZCFCODU-RBUKOAKNSA-N/SDF?record_type=3d > [H][C@](NC(=O)OCC1=CC=CC=C1)(C(C)C)[P@@](O)(=O)O[C@]([H])(C(O)=O)C1=CC(CN)=CC=C1 > InChI=1S/C21H27N2O7P/c1-14(2)19(23-21(26)29-13-15-7-4-3-5-8-15)31(27,28)30-18(20(24)25)17-10-6-9-16(11-17)12-22/h3-11,14,18-19H,12-13,22H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)/t18-,19+/m0/s1 > RTFGEFWZCFCODU-RBUKOAKNSA-N > C21H27N2O7P > 450.422 > 450.15558774 > 6 > 58 > -1.0052234854467543 > 45.13327640885224 > 1 > 4 > 0 > 1 > (2S)-2-[3-(aminomethyl)phenyl]-2-({[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl](hydroxy)phosphoryl}oxy)acetic acid > 0.33 > 1.6125871737024478 > -3.91 > 0 > -1 > 2 > -1 > 3.5015780400892327 > 0.9986758511337124 > 9.250915169133652 > 148.18 > 113.20779999999998 > 11 > 1 > 5.52e-02 g/l > biotin > 0 $$$$