6992098 -OEChem-10051719083D 25 24 0 1 0 0 0 0 0999 V2000 -3.4694 1.2047 -0.6041 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4334 1.7984 0.2351 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0624 0.6613 -1.2448 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 -1.4789 -0.1006 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2021 -0.6830 0.4449 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6264 1.0336 0.9492 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7626 -0.8958 0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -0.4092 0.6088 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0112 -1.0238 -0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4028 -1.5607 -0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3871 0.9986 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9641 0.3546 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2239 -0.2025 1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7529 -1.8667 1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6536 -0.3729 1.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 -0.0500 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5434 -1.7062 -1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8964 -1.6655 -1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3838 -2.5439 0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9909 -1.2789 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8461 -2.4018 0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 -1.5540 -1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1954 -0.8426 1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 0.7668 1.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 1.8237 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 8 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 M CHG 2 1 -1 4 1 M END > DB00155 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RHGKLRLOHDJJDR-BYPYZUCNSA-N/SDF?record_type=3d > N[C@@H](CCCNC(N)=O)C(O)=O > InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1 > RHGKLRLOHDJJDR-BYPYZUCNSA-N > C6H13N3O3 > 175.1857 > 175.095691297 > 4 > 25 > 17.34757818367823 > 1 > 4 > 0 > 0 > (2S)-2-amino-5-(carbamoylamino)pentanoic acid > -3.27 > -3.9319578381140263 > -0.90 > 0 > 0 > 0 > 15.333969157335531 > 2.2682474980163243 > 9.225134668659093 > 118.43999999999998 > 41.329 > 5 > 1 > 2.18e+01 g/l > L-citrulline > 0 $$$$