6992103 -OEChem-10051719083D 26 25 0 1 0 0 0 0 0999 V2000 -1.0021 0.2553 -1.3136 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0066 -0.1729 -1.3171 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8429 0.7836 0.2904 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8373 -0.8079 0.2545 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8761 1.1620 1.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8668 -1.2289 1.3245 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7914 -1.3441 -1.1074 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7993 1.3910 -1.0390 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1326 -0.8528 0.1456 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1359 0.8426 0.1877 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6206 -0.9358 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6247 0.9446 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6713 0.4924 0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6666 -0.5292 0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4053 -1.5965 0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4114 1.5468 0.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1056 -0.7413 0.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3473 -1.9479 -0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1092 0.7091 0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 1.9739 -0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8136 -1.3820 -0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4762 -2.2906 -1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5899 -0.7255 -1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4895 2.3504 -1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5957 0.8133 -1.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 1.4181 -0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 5 13 2 0 0 0 0 6 14 2 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M CHG 4 3 -1 4 -1 7 1 8 1 M END > DB00138 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LEVWYRKDKASIDU-IMJSIDKUSA-N/SDF?record_type=3d > N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O > InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1 > LEVWYRKDKASIDU-IMJSIDKUSA-N > C6H12N2O4S2 > 240.3 > 240.023848262 > 6 > 26 > -0.022477638287695334 > 22.772305661239265 > 1 > 4 > 0 > 0 > (2R)-2-amino-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid > -3.16 > -5.897687960059564 > -1.16 > 0 > 0 > 0 > 0 > 2.267408279723485 > 1.556423109190338 > 9.342140596747571 > 126.64000000000001 > 54.87179999999999 > 7 > 1 > 1.68e+01 g/l > biotin > 0 $$$$