656910 -OEChem-11151914203D 44 43 0 1 0 0 0 0 0999 V2000 -1.8498 -0.5151 -2.0727 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3599 1.8405 1.7812 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8998 -1.0863 1.3477 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7006 -1.1713 1.3637 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 -0.1029 0.0935 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6553 -2.7475 -0.6615 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5362 -1.9174 0.5548 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4331 0.5462 -0.1427 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0651 2.5350 0.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 0.3362 0.0958 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9878 1.9361 -1.2981 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7808 -0.7038 0.9903 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5175 -1.3546 -0.2320 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8383 -0.7933 -0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7671 0.6101 -0.2743 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9955 0.6905 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9625 -0.3328 -0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6951 -0.6141 -0.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3313 1.2638 -0.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4070 -1.0341 0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0255 1.6997 0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6421 0.9152 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5719 -1.3216 0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 -0.9019 -1.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6412 -1.3814 -0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5779 1.1145 -1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 1.2805 -0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9048 0.8073 0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8123 0.2267 -0.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7023 -1.0912 -1.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3782 -0.2484 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 2.3266 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3999 1.1764 -1.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7123 -0.3013 1.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5852 -1.6239 1.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5653 -3.1106 -0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6152 -2.8086 -1.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2594 -2.6289 -0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7890 -2.4159 1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5857 2.4303 -0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3354 3.3065 1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6812 0.7308 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 2.1697 -1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 2.4886 -1.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 21 2 0 0 0 0 3 12 1 0 0 0 0 4 12 2 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 5 31 1 0 0 0 0 6 13 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 20 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 19 1 0 0 0 0 8 22 2 0 0 0 0 9 21 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 10 42 1 0 0 0 0 11 22 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 15 26 1 0 0 0 0 16 19 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 20 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 M CHG 2 3 -1 12 1 M END > DB01821 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KUZKVXUOMSVPOA-BQBZGAKWSA-N/SDF?record_type=3d > NCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O > InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1 > KUZKVXUOMSVPOA-BQBZGAKWSA-N > C10H22N8O4 > 318.3329 > 318.176401232 > 9 > 44 > 31.283913907268364 > 0 > 7 > 0 > 0 > (2S)-2-amino-N-[(1S)-3-amino-1-carbamoylpropyl]-5-(N'-nitrocarbamimidamido)pentanamide > -3.950490149315692 > 0 > 0 > 3 > 12.305764811069757 > 10.900537315833699 > 9.539474985852864 > 215.28 > 87.09139999999996 > 10 > 0 > 4-[(2S)-2-{[(3S)-1-{[1,1'-biphenyl]-4-ylmethyl}-2-oxoazepan-3-yl]carbamoyl}-2-acetamidoethyl]-2-phosphonophenoxyacetic acid > 0 $$$$