3082883 -OEChem-05042415282D 71 72 0 1 0 0 0 0 0999 V2000 5.7000 -3.7428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7216 -0.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8235 0.0434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4216 2.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2876 1.0434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8805 -2.0444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 -2.0955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5556 0.0434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8235 4.0434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 5.5434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0915 4.0434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6895 -1.4566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5411 -2.4556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4986 -2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1895 -2.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1895 -2.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 -2.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -2.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9295 -1.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6895 -0.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1863 -2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5556 1.0434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6895 1.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6895 2.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4216 1.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8235 3.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 4.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1371 -1.1751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -3.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0650 -2.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8086 -1.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 -1.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 -0.8879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1247 -3.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7960 -3.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5831 -3.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2544 -3.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2969 -0.8879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6256 -1.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 -2.2034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -2.9925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8952 -2.9519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6749 -2.7862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1064 -1.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0925 -0.2666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0925 0.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0790 1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4775 0.9608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.5803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3001 2.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9016 3.1260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2129 3.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6115 2.4608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9585 2.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4206 5.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4944 5.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5545 4.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0915 3.4234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 24 2 0 0 0 0 3 25 2 0 0 0 0 4 27 2 0 0 0 0 5 33 1 0 0 0 0 5 67 1 0 0 0 0 6 33 2 0 0 0 0 7 15 1 0 0 0 0 7 20 1 0 0 0 0 7 24 1 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 8 27 1 0 0 0 0 9 23 1 0 0 0 0 9 26 1 0 0 0 0 9 52 1 0 0 0 0 10 25 1 0 0 0 0 29 10 1 1 0 0 0 10 53 1 0 0 0 0 28 11 1 1 0 0 0 11 63 1 0 0 0 0 11 64 1 0 0 0 0 12 34 1 0 0 0 0 12 35 2 0 0 0 0 13 35 1 0 0 0 0 13 68 1 0 0 0 0 13 69 1 0 0 0 0 14 35 1 0 0 0 0 14 70 1 0 0 0 0 14 71 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 6 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 1 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 24 26 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 31 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 33 1 0 0 0 0 29 55 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 34 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 M END > 3082883 > 1 > 846 > 8 > 6 > 11 > AAADcfB7+AAAAAAAAAAAAAAAAAAAAWLAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQDCAPAAgAoAAGQPAAAAAEAAAAAAIGIAAACQBIAgCAUQAAEFgCQAACYEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoic acid > (2S)-2-[[[(2S)-1-[2-[[[(2S)-1-[(2S)-2-amino-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)pentanoic acid > (2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid > (2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid > (2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-azanylpropanoyl]pyrrolidin-2-yl]carbonylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid > (2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-aminopropanoyl]prolyl]amino]acetyl]prolyl]amino]-5-guanidino-valeric acid > InChI=1S/C21H36N8O6/c1-12(22)19(33)29-10-4-6-14(29)17(31)26-11-16(30)28-9-3-7-15(28)18(32)27-13(20(34)35)5-2-8-25-21(23)24/h12-15H,2-11,22H2,1H3,(H,26,31)(H,27,32)(H,34,35)(H4,23,24,25)/t12-,13-,14-,15-/m0/s1 > ITZMJCSORYKOSI-AJNGGQMLSA-N > -5 > 496.27578090 > C21H36N8O6 > 496.6 > CC(C(=O)N1CCCC1C(=O)NCC(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)O)N > C[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N > 227 > 496.27578090 > 0 > 35 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 29 10 5 28 11 5 15 25 6 16 23 5 $$$$