446604 -OEChem-10051720313D 64 67 0 1 0 0 0 0 0999 V2000 0.2531 -2.3223 1.5865 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1984 -0.5712 2.5167 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6081 2.1837 -2.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4753 2.2299 -0.2214 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0154 -3.0801 2.8001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -2.8160 0.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7802 -0.2898 0.2802 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -0.7240 1.9949 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8053 3.0125 0.6696 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7406 2.0587 2.5184 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 0.2045 -1.0689 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0795 -0.6401 -2.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1782 -0.6632 0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5432 -0.9937 -1.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7177 -1.5990 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4589 0.0968 1.0551 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8874 -0.2821 1.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 1.6344 -1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2392 1.5799 1.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0079 2.1023 0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3004 -2.0907 0.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2264 2.0781 1.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1048 2.6104 -0.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3426 -1.8789 -0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4806 -2.1195 1.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3639 2.5618 0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5687 -1.6925 -1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0326 3.0944 -1.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7689 -1.7220 -0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2669 3.0700 -0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7075 -1.9367 0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6298 -1.4783 -2.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6513 2.5365 1.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9949 -1.5356 -1.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8566 -1.2949 -3.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0368 -1.3234 -2.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3863 0.2318 -1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5142 -1.5794 -2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9856 -0.1529 -3.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7774 0.2523 0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2739 -1.1479 1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8893 -1.7014 -2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1631 -0.0938 -2.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1859 -2.5575 -0.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7773 -1.8063 -0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1394 -0.1914 0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0989 2.1708 0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1617 1.7884 2.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7181 -0.4619 2.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8939 3.1203 -2.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2807 1.6768 2.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0585 2.6367 -1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -1.8501 -1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -2.2756 2.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9563 3.4895 -2.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1184 3.4575 -1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6174 -1.9606 1.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7199 -1.4512 -3.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9299 -1.5536 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 -1.1293 -4.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9914 -1.1802 -3.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6944 2.9873 1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8264 3.3934 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 2.1262 2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 21 1 0 0 0 0 2 17 2 0 0 0 0 3 18 1 0 0 0 0 3 50 1 0 0 0 0 4 18 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 16 1 0 0 0 0 8 49 1 0 0 0 0 9 33 1 0 0 0 0 9 62 1 0 0 0 0 9 63 1 0 0 0 0 10 33 2 0 0 0 0 10 64 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 51 1 0 0 0 0 23 28 2 0 0 0 0 23 52 1 0 0 0 0 24 27 1 0 0 0 0 24 53 1 0 0 0 0 25 31 2 0 0 0 0 25 54 1 0 0 0 0 26 30 2 0 0 0 0 26 33 1 0 0 0 0 27 29 1 0 0 0 0 27 32 2 0 0 0 0 28 30 1 0 0 0 0 28 55 1 0 0 0 0 29 31 1 0 0 0 0 29 34 2 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 32 35 1 0 0 0 0 32 58 1 0 0 0 0 34 36 1 0 0 0 0 34 59 1 0 0 0 0 35 36 2 0 0 0 0 35 60 1 0 0 0 0 36 61 1 0 0 0 0 M END > DB04238 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GNANSBQAIRJZPA-XZOQPEGZSA-N/SDF?record_type=3d > [H][C@@](CC1=CC(=CC=C1)C(N)=N)(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)N1CCCC[C@]1([H])C(O)=O > InChI=1S/C26H28N4O5S/c27-24(28)20-9-5-6-17(14-20)15-22(25(31)30-13-4-3-10-23(30)26(32)33)29-36(34,35)21-12-11-18-7-1-2-8-19(18)16-21/h1-2,5-9,11-12,14,16,22-23,29H,3-4,10,13,15H2,(H3,27,28)(H,32,33)/t22-,23+/m0/s1 > GNANSBQAIRJZPA-XZOQPEGZSA-N > C26H28N4O5S > 508.589 > 508.178040716 > 7 > 64 > -0.0008046426915058562 > 51.779049441837586 > 1 > 4 > 0 > 0 > (2R)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalene-2-sulfonamido)propanoyl]piperidine-2-carboxylic acid > 0.90 > 0.9513560667654272 > -4.57 > 1 > 0 > 4 > 0 > 10.019778784261502 > 3.006874759009492 > 11.471686005901283 > 153.65 > 146.02030000000002 > 7 > 0 > 1.37e-02 g/l > biotin > 0 $$$$