5462501 -OEChem-10051722293D 49 50 0 1 0 0 0 0 0999 V2000 -1.5598 -0.9577 -1.3035 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5032 -3.2403 -0.3274 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1582 -1.2131 -1.1381 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9122 2.5025 1.8351 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0064 3.5239 -0.1864 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0762 -0.0633 0.1987 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1064 1.2658 -1.3100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5874 -1.3340 0.6958 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3437 -0.9754 1.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8188 0.4522 1.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6761 1.0613 0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0412 0.0148 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 1.4024 -0.9924 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5008 -1.8852 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6914 1.1111 -0.0996 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0345 0.4600 -0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2781 2.0258 -2.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9662 0.2198 0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8936 2.5010 0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2538 -0.4894 0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3153 -1.8824 0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 0.2477 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5054 -2.5381 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5725 -0.4082 -0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6338 -1.8011 -0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7539 -2.0236 0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1727 -1.6528 2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6546 -0.9779 2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7342 0.4373 1.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0296 1.0041 2.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0175 1.8374 0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9191 1.4796 1.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6414 2.0614 -0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1824 0.4812 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2293 2.0580 -1.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8435 -0.5014 -0.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5661 1.0830 -1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1652 1.4380 -3.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3513 2.0859 -1.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9203 3.0409 -2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4329 -0.3596 1.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2148 1.1750 1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 -3.6208 -1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 -2.4675 0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3462 1.3332 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0327 3.4058 2.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5531 -3.6226 0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4511 0.1655 -0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5603 -2.3117 -0.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 14 1 0 0 0 0 2 43 1 0 0 0 0 3 14 2 0 0 0 0 4 19 1 0 0 0 0 4 46 1 0 0 0 0 5 19 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 34 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 22 24 2 0 0 0 0 22 45 1 0 0 0 0 23 25 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 M END > DB09477 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LZFZMUMEGBBDTC-QEJZJMRPSA-N/SDF?record_type=3d > [H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@@]1([H])C(O)=O > InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1 > LZFZMUMEGBBDTC-QEJZJMRPSA-N > C18H24N2O5 > 348.3936 > 348.168521888 > 6 > 49 > -1.0047515124225022 > 35.82306066381687 > 1 > 3 > 0 > 0 > (2S)-1-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]pyrrolidine-2-carboxylic acid > -0.09 > -1.0502586259696762 > -2.60 > 0 > -1 > 2 > -1 > 3.9633227574021888 > 3.1329349872838383 > 7.833135249089682 > 106.94000000000001 > 90.05689999999997 > 8 > 1 > 8.76e-01 g/l > tetrahydrofolic acid > 0 $$$$