HMDB0257386 RDKit 3D Pyroglutamyl-prolyl-arginine-4-nitroanilide 66 68 0 0 0 0 0 0 0 0999 V2000 -5.7951 4.6144 1.7309 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5202 4.0837 2.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3756 4.9266 1.9842 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4689 2.8689 2.4631 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2521 2.1872 2.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6988 1.5547 1.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4428 0.8135 1.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8798 0.2261 0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3593 -0.5068 0.8795 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5596 -0.1719 0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5482 0.7386 -0.6754 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8144 -0.9273 0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 -2.3727 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8961 -2.2571 -1.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6955 -0.9989 -1.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9429 -0.5399 -0.2592 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0712 0.1552 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.4847 1.4414 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2393 0.5417 -0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9872 -0.6112 -1.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4495 -0.4476 -0.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4512 0.5786 0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4103 0.7924 0.9828 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2096 1.2720 0.1976 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8694 -0.7539 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6576 -1.9873 0.1502 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9791 -0.3111 -0.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9685 -1.1304 -1.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8935 -0.5769 -2.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8837 -1.2936 -2.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0218 -2.6263 -2.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0682 -3.3693 -3.1595 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.2438 -4.5816 -2.9359 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9375 -2.7626 -4.0439 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.1652 -3.2280 -1.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1490 -2.4635 -1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5365 4.7104 2.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9467 4.8979 0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4128 5.8998 2.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4849 4.6211 1.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5424 1.3861 3.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5573 2.9181 3.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6964 2.3229 0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4862 0.7718 1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6886 -0.0181 2.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6714 1.4098 2.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 0.9430 -0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3458 -1.2545 1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 -0.8647 1.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6011 -2.7001 0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4081 -3.0153 0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4201 -3.1479 -1.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9347 -2.1609 -1.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0633 -0.2166 -2.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6262 -1.1805 -2.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9584 1.2255 -1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5942 -1.5995 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9384 -0.6128 -2.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0592 -0.1270 -1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8046 -1.4342 -0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9992 2.1642 0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0719 0.7310 -0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7652 0.4858 -2.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5800 -0.8157 -3.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2829 -4.2746 -1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5052 -2.9852 -0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 8 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 32 34 1 0 31 35 1 0 35 36 2 0 16 12 1 0 24 19 1 0 36 28 1 0 1 37 1 0 1 38 1 0 3 39 1 0 3 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 6 44 1 0 7 45 1 0 7 46 1 0 8 47 1 0 9 48 1 0 12 49 1 0 13 50 1 0 13 51 1 0 14 52 1 0 14 53 1 0 15 54 1 0 15 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 21 59 1 0 21 60 1 0 24 61 1 0 27 62 1 0 29 63 1 0 30 64 1 0 35 65 1 0 36 66 1 0 M CHG 2 32 1 34 -1 M END