6610318 -OEChem-10051720583D 59 60 0 1 0 0 0 0 0999 V2000 -3.4834 0.4853 -2.2933 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1218 -0.9723 0.6537 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1109 -2.5066 0.6044 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3414 2.3296 -1.8924 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1791 -0.6013 1.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1964 -1.6947 -1.7206 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 -0.0820 -0.6706 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6088 0.8056 -0.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3552 -1.5000 0.4421 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -1.2813 -0.7225 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7656 1.2102 -0.2289 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6079 -1.0253 -1.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 0.9823 -1.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7556 0.4943 -1.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0754 2.2479 0.8642 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5658 -0.0533 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9187 0.8187 -1.0188 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1583 -0.6068 -1.4237 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5482 1.4021 -1.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3522 1.9505 2.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3190 -1.3967 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7433 3.6533 0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3397 -1.3212 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7191 2.9168 3.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4261 -2.1762 1.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5318 -1.2207 1.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8379 -2.7392 1.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0301 -0.1189 2.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9963 -2.1652 -0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9974 1.6341 -1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1632 -1.3458 -2.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5717 -1.5305 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7444 1.0808 -2.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3797 1.9350 -0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0997 0.8862 -2.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4745 0.7994 -1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1553 2.2328 1.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5789 1.2865 -0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3135 -1.2215 -1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9161 0.0537 0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 0.9363 2.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7354 1.9823 2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3371 3.8031 0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1324 4.4236 1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1996 3.8320 -0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2715 2.5840 4.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3478 3.9259 3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 2.9641 3.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5823 -1.1429 0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9841 -2.6697 2.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8421 -2.9515 0.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3151 -1.7899 2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9928 -0.7607 0.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4270 -3.6513 1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1461 -2.8812 2.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5187 -1.9060 2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5481 -0.5403 3.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3118 0.5333 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8675 0.5029 2.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 16 2 0 0 0 0 3 21 1 0 0 0 0 3 27 1 0 0 0 0 4 19 2 0 0 0 0 5 21 2 0 0 0 0 6 23 2 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 8 40 1 0 0 0 0 9 23 1 0 0 0 0 9 25 1 0 0 0 0 9 49 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 15 37 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 23 1 0 0 0 0 18 39 1 0 0 0 0 20 24 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 24 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 50 1 0 0 0 0 25 51 1 0 0 0 0 26 28 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 M END > DB07223 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XGWSRLSPWIEMLQ-YTFOTSKYSA-N/SDF?record_type=3d > [H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCCC)C(=O)N1CCC[C@@]1([H])C(=O)OC > InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1 > XGWSRLSPWIEMLQ-YTFOTSKYSA-N > C19H31N3O6 > 397.4659 > 397.221285739 > 5 > 59 > -6.40086395934283e-06 > 41.921387201088606 > 1 > 2 > 0 > 1 > methyl (2S)-1-[(2S,3S)-3-methyl-2-{[(2S,3S)-3-(propylcarbamoyl)oxiran-2-yl]formamido}pentanoyl]pyrrolidine-2-carboxylate > 0.76 > 0.3065530106666668 > -2.14 > 0 > 0 > 2 > 0 > 14.266427752112042 > 12.197760012931646 > -3.3290237688139825 > 117.34 > 99.34439999999998 > 10 > 1 > 2.90e+00 g/l > tetrahydrofolic acid > 0 $$$$