104802 -OEChem-03282411292D 46 45 0 1 0 0 0 0 0999 V2000 8.5991 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 0.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 0.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 -0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 2.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 2.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 0.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 21 2 0 0 0 0 3 22 1 0 0 0 0 3 41 1 0 0 0 0 4 22 2 0 0 0 0 5 23 1 0 0 0 0 5 42 1 0 0 0 0 6 23 2 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 7 33 1 0 0 0 0 14 8 1 1 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 18 9 1 1 0 0 0 9 21 1 0 0 0 0 9 38 1 0 0 0 0 10 17 1 0 0 0 0 10 24 2 0 0 0 0 11 24 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 24 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 23 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 M END > 104802 > 1 > 504 > 8 > 7 > 11 > AAADceBzuAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQBCALAAgAoAAGQPAAAAAEAAAAAAIGIAAACQBoAgCAUQAAGFgCQAABbAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-2-[[2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetyl]amino]butanedioic acid > (2S)-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]butanedioic acid > (2S)-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]butanedioic acid > (2S)-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]butanedioic acid > (2S)-2-[2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]butanedioic acid > (2S)-2-[[2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetyl]amino]succinic acid > InChI=1S/C12H22N6O6/c13-6(2-1-3-16-12(14)15)10(22)17-5-8(19)18-7(11(23)24)4-9(20)21/h6-7H,1-5,13H2,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H4,14,15,16)/t6-,7-/m0/s1 > IYMAXBFPHPZYIK-BQBZGAKWSA-N > -6 > 346.16008244 > C12H22N6O6 > 346.34 > C(CC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)O)N)CN=C(N)N > C(C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)N)CN=C(N)N > 223 > 346.16008244 > 0 > 24 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 8 5 18 9 5 $$$$