67427 -OEChem-12041900313D 31 30 0 1 0 0 0 0 0999 V2000 2.2632 1.8136 1.4045 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7588 2.9810 -0.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2314 -1.9266 -1.1481 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -0.4475 0.3742 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0229 -0.0693 0.5169 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2386 -0.3335 1.1436 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7549 -0.5665 -1.0715 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4098 0.2709 -1.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 0.5464 -0.5680 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6641 0.2575 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0375 -0.0643 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9486 1.9096 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9415 -1.6043 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3176 -2.4560 1.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2529 -0.3110 0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 1.0315 -1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4012 -0.6966 -1.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5238 0.5402 -1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7023 1.2302 0.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4145 -0.4858 0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 -1.0465 -1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2982 0.6928 -1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0731 -0.2987 1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6828 -3.4269 0.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 -1.9586 1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4463 -2.6174 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3247 2.6950 1.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0236 -0.1627 2.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2064 -0.5203 0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7437 -0.7434 -1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1649 -0.5895 -1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 27 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 23 1 0 0 0 0 5 11 1 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 15 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 13 14 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 M END > DB01985 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SNEIUMQYRCDYCH-LURJTMIESA-N/SDF?record_type=3d > CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O > InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1 > SNEIUMQYRCDYCH-LURJTMIESA-N > C8H16N4O3 > 216.2376 > 216.122240398 > 6 > 31 > 22.02879612671238 > 1 > 5 > 0 > 0 > (2S)-5-carbamimidamido-2-acetamidopentanoic acid > -1.73 > -3.3150696510947952 > -2.45 > 0 > 0 > 0 > 15.72937667333455 > 3.592000929329457 > 12.244879969454542 > 128.3 > 63.3669 > 6 > 1 > 7.67e-01 g/l > (4S)-4-[(2S)-2-[(3R)-3-{[(benzyloxy)carbonyl]amino}-4-cyclohexyl-2-oxobutanamido]-5-[(diaminomethylidene)amino]pentanamido]-4-{[(1S)-1-carboxy-2-cyclohexylethyl]carbamoyl}butanoic acid > 0 $$$$