3115 -OEChem-05092420282D 62 64 0 0 0 0 0 0 0999 V2000 9.9067 -1.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3637 0.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9303 -2.9148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9638 4.7195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8746 -0.8801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8023 -0.2412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3714 0.0678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9624 1.4678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2357 3.1233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 -1.8967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8048 3.4324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -3.3057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 -4.3238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0656 -0.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4204 -0.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3746 0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1114 -1.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3746 0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6837 -0.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 -1.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6114 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1146 -0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5447 2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9569 1.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5236 -2.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8746 -1.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8513 0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5447 2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8537 3.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0447 3.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 -2.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2847 3.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -3.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0127 4.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0102 1.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2733 -0.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4758 -1.6938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6114 0.9666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5003 0.6743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7102 2.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2546 -1.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8746 -2.5001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4946 -1.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0429 0.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 0.2594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6597 -0.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9092 1.6707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0447 4.3311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7704 -3.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4985 -2.9775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2769 -1.3303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4762 4.0220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6950 3.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0931 2.8427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1176 -2.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3895 -2.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2656 3.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5520 4.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 -2.7393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -4.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 24 2 0 0 0 0 3 25 2 0 0 0 0 4 35 2 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 5 26 1 0 0 0 0 6 17 1 0 0 0 0 6 21 1 0 0 0 0 6 27 1 0 0 0 0 7 15 1 0 0 0 0 7 22 1 0 0 0 0 7 40 1 0 0 0 0 8 16 1 0 0 0 0 8 24 1 0 0 0 0 8 41 1 0 0 0 0 9 23 1 0 0 0 0 9 30 1 0 0 0 0 9 32 1 0 0 0 0 10 25 1 0 0 0 0 10 31 1 0 0 0 0 10 52 1 0 0 0 0 11 29 1 0 0 0 0 11 35 1 0 0 0 0 11 58 1 0 0 0 0 12 34 1 0 0 0 0 12 60 1 0 0 0 0 12 61 1 0 0 0 0 13 34 2 0 0 0 0 13 62 1 0 0 0 0 14 18 2 0 0 0 0 14 22 1 0 0 0 0 15 20 1 0 0 0 0 15 21 2 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 17 20 2 0 0 0 0 17 25 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 30 49 1 0 0 0 0 31 33 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 35 59 1 0 0 0 0 M END > 3115 > 1 > 825 > 5 > 6 > 9 > AAADceB7+AAAAAAAAAAAAAAAAAAAAWLFgAAAAAAAAAAAAAAB+AAAHgAQAAAACAjBlgY/wJPMEACoATd39ACCgCC3EiAA2KG4dNgIYPLA1fGUBQhglgDIyYYcAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-formamido-1-methyl-pyrrole-2-carboxamide > N-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-4-formamido-1-methyl-2-pyrrolecarboxamide > N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide > N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide > N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-formamido-1-methyl-pyrrole-2-carboxamide > N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-formamido-1-methyl-pyrrole-2-carboxamide > InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34) > UPBAOYRENQEPJO-UHFFFAOYSA-N > -1.8 > 481.21860038 > C22H27N9O4 > 481.5 > CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC=O > CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC=O > 181 > 481.21860038 > 0 > 35 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 18 8 15 20 8 15 21 8 16 18 8 16 19 8 17 20 8 23 28 8 28 29 8 29 30 8 5 14 8 5 19 8 6 17 8 6 21 8 9 23 8 9 30 8 $$$$