11318905 -OEChem-06111912573D 43 43 0 1 0 0 0 0 0999 V2000 0.8617 -0.0127 -1.4256 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5183 -2.1179 -0.0547 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6226 2.3683 -1.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4759 2.8509 0.4511 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6994 -2.3577 1.5662 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1862 -2.8042 -0.5983 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8534 0.1562 0.2743 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7154 0.8593 0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -2.6401 -0.9731 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 0.4874 0.8187 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6621 1.9539 1.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7485 2.5138 0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7051 1.3431 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 -0.3945 1.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5399 0.4026 -0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2416 -1.1221 -0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8351 0.9041 -0.8645 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6504 -1.2463 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -0.4005 -0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6584 2.1281 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3101 -0.7859 0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0823 -2.0860 0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 2.5573 1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0196 2.0027 2.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2325 3.4039 0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3207 2.7746 -0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4035 1.2921 1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2728 1.3886 -0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8935 -0.5158 2.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 0.0292 2.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7883 -1.3948 1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 1.1485 1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4257 1.0728 -1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7666 -0.6342 -1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3698 -0.9350 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4178 -0.3330 -1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9804 -1.2218 -1.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0113 0.0013 0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5482 -0.8926 1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7698 -2.7775 -1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7847 -3.2127 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1448 3.1702 -1.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2158 -3.1907 1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 2 0 0 0 0 3 20 1 0 0 0 0 3 42 1 0 0 0 0 4 20 2 0 0 0 0 5 22 1 0 0 0 0 5 43 1 0 0 0 0 6 22 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 15 1 0 0 0 0 8 17 1 0 0 0 0 8 32 1 0 0 0 0 9 18 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END > DB06045 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BUSXWGRAOZQTEY-SDBXPKJASA-N/SDF?record_type=3d > C[C@]1(CCCN1C(=O)CN)C(=O)N[C@@H](CCC(O)=O)C(O)=O > InChI=1S/C13H21N3O6/c1-13(5-2-6-16(13)9(17)7-14)12(22)15-8(11(20)21)3-4-10(18)19/h8H,2-7,14H2,1H3,(H,15,22)(H,18,19)(H,20,21)/t8-,13-/m0/s1 > BUSXWGRAOZQTEY-SDBXPKJASA-N > C13H21N3O6 > 315.326 > 315.143035408 > 7 > 43 > 30.954884649480988 > 1 > 4 > 0 > 0 > (2S)-2-{[(2S)-1-(2-aminoacetyl)-2-methylpyrrolidin-2-yl]formamido}pentanedioic acid > -2.96 > -4.455233433971851 > -1.48 > 0 > 1 > -1 > 3.998885149207897 > 3.2683273972119427 > 7.831229393931415 > 150.03 > 73.791 > 7 > 1 > 1.04e+01 g/l > trofinetide > 0 $$$$