5494439 -OEChem-10051720413D 70 71 0 1 0 0 0 0 0999 V2000 -0.8541 0.1483 0.1854 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1552 1.4774 -0.2569 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0818 2.2443 1.3823 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7795 -1.6834 1.2886 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6683 -3.1931 0.1461 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7591 2.2238 0.6646 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 1.2346 -0.5822 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4802 0.1188 1.6052 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0685 -3.7505 -0.6114 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7422 -2.0677 0.6963 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7878 -4.4560 -2.4098 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 -6.0691 -1.2004 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7351 1.7585 1.6412 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1949 3.0210 2.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0292 4.1116 1.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7818 3.6798 0.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8418 1.3745 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2075 2.0464 -0.7835 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8528 1.1151 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2464 2.1001 -2.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7906 2.7128 -3.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6028 -0.6398 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2567 2.6640 -4.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1479 4.1537 -2.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1682 -1.8992 0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 1.4009 0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3833 -2.8671 1.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4066 0.4963 0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9410 -4.1201 0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 0.9023 1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3476 -0.7592 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6763 0.0528 1.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4529 -1.6087 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6173 -1.2027 0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6138 -4.7201 -1.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 1.0380 2.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2197 2.9651 2.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5266 3.2308 3.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9328 5.1111 1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8954 4.1164 0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 4.0735 1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7946 3.9965 -0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 3.0443 -0.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1865 2.6614 -2.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4821 1.0829 -2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7089 2.1135 -3.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 0.5323 -1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1526 -0.0940 2.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2306 -0.8990 1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1917 -0.0023 0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0293 1.6343 -4.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9974 3.0563 -5.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6581 3.2573 -4.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6745 4.2034 -1.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8105 4.5936 -3.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2519 4.7798 -2.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5582 -1.6084 -0.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0586 -2.4059 -0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0028 -3.1605 2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4943 -2.3656 1.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8283 -4.6518 0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -4.7730 1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6377 1.8784 1.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4508 -1.1277 -0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5669 0.4027 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3689 -2.5826 -0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4209 -5.1998 -2.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5206 -3.5057 -2.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -6.7422 -1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4390 -6.4403 -0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 19 2 0 0 0 0 3 26 2 0 0 0 0 4 10 1 0 0 0 0 5 10 2 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 26 1 0 0 0 0 7 47 1 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 8 48 1 0 0 0 0 9 29 1 0 0 0 0 9 35 2 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 67 1 0 0 0 0 11 68 1 0 0 0 0 12 35 1 0 0 0 0 12 69 1 0 0 0 0 12 70 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 22 25 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 27 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 32 1 0 0 0 0 30 63 1 0 0 0 0 31 33 2 0 0 0 0 31 64 1 0 0 0 0 32 34 2 0 0 0 0 32 65 1 0 0 0 0 33 34 1 0 0 0 0 33 66 1 0 0 0 0 M CHG 2 4 -1 10 1 M END > DB04771 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FIZYZWLGMGGGBJ-OALUTQOASA-N/SDF?record_type=3d > CC(C)C[C@H](NC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(=O)NCCCCN=C(N)N > InChI=1S/C23H35N7O5/c1-15(2)14-18(28-20(31)16-7-9-17(10-8-16)30(34)35)22(33)29-13-5-6-19(29)21(32)26-11-3-4-12-27-23(24)25/h7-10,15,18-19H,3-6,11-14H2,1-2H3,(H,26,32)(H,28,31)(H4,24,25,27)/t18-,19-/m0/s1 > FIZYZWLGMGGGBJ-OALUTQOASA-N > C23H35N7O5 > 489.5679 > 489.269967265 > 8 > 70 > 0.9999478398594016 > 51.320122419832245 > 1 > 4 > 0 > 0 > (2S)-N-{4-[(diaminomethylidene)amino]butyl}-1-[(2S)-4-methyl-2-[(4-nitrophenyl)formamido]pentanoyl]pyrrolidine-2-carboxamide > 1.16 > 0.8339186219999991 > -4.20 > 0 > 1 > 2 > 1 > 15.210421303637286 > 13.732606090930876 > 11.28417697624699 > 186.05 > 130.19269999999997 > 12 > 1 > 3.09e-02 g/l > tetrahydrofolic acid > 0 $$$$