17753790 -OEChem-10051723573D 29 30 0 1 0 0 0 0 0999 V2000 2.7020 1.2454 -1.3638 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3024 0.4580 0.0379 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1031 2.1916 0.3713 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0329 -1.9748 0.0561 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0286 -2.4997 0.1750 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1459 0.3836 0.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -0.4802 1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1438 -0.0359 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9078 1.1176 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2214 -0.7861 -0.1953 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1399 1.7581 0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7363 -1.2902 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2398 1.0794 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0679 -1.3437 -0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8065 -0.1757 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1905 0.3526 -0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8992 0.0298 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9683 -1.3924 1.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -0.9725 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9066 2.4681 1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3894 3.1598 0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8153 1.9880 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5432 -2.3022 -0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8393 -0.2403 -0.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 -2.2107 -0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4245 -2.7722 0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5615 -3.3460 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0486 -2.5164 0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3384 1.9703 -1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 29 1 0 0 0 0 2 16 2 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 21 1 0 0 0 0 4 10 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 12 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 M END > DB02286 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JUDQOTGDEFNIKF-QMMMGPOBSA-N/SDF?record_type=3d > [H][C@](N)(CC1=CNC2=CC=CC(N)=C12)C(O)=O > InChI=1S/C11H13N3O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,12-13H2,(H,15,16)/t8-/m0/s1 > JUDQOTGDEFNIKF-QMMMGPOBSA-N > C11H13N3O2 > 219.2398 > 219.100776675 > 4 > 29 > -0.0031138855546302135 > 22.482850996092424 > 1 > 4 > 0 > 0 > (2S)-2-amino-3-(4-amino-1H-indol-3-yl)propanoic acid > -1.35 > -1.9160567218903344 > -1.72 > 0 > 0 > 2 > 0 > 17.467603739685394 > 1.8381523236524746 > 9.398784316090985 > 105.13000000000001 > 60.9032 > 3 > 1 > 4.17e+00 g/l > tetrahydrofolic acid > 0 $$$$