6999776 -OEChem-10211716083D 22 21 0 1 0 0 0 0 0999 V2000 1.4021 1.6721 0.4415 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6964 0.3613 -0.9037 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1358 -1.8661 -0.3898 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3571 -0.4798 0.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0986 -0.6777 0.5193 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3127 -0.0666 -0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 0.0543 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7957 0.5730 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7098 0.4294 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3926 0.2823 1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7227 -1.4070 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6828 -0.9841 1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9987 0.8901 -0.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 -0.8077 -0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0686 -0.8964 0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7993 0.8133 1.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6685 -2.6827 0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1065 -2.1421 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6861 -1.6732 -1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7084 -0.3283 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7295 0.5123 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4368 1.3914 -1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 M CHG 2 1 -1 3 1 M END > DB04419 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LRQKBLKVPFOOQJ-RXMQYKEDSA-N/SDF?record_type=3d > CCCC[C@@H](N)C(O)=O > InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1 > LRQKBLKVPFOOQJ-RXMQYKEDSA-N > C6H13NO2 > 131.1729 > 131.094628665 > 3 > 22 > 14.434842697218588 > 1 > 2 > 0 > 0 > (2R)-2-aminohexanoic acid > -1.74 > -1.4286287541080052 > -0.17 > 0 > 0 > 0 > 2.7878511623266418 > 9.526564602098674 > 63.32 > 34.2233 > 4 > 1 > 8.92e+01 g/l > d-norleucine > 0 $$$$