Mrv1652309092221482D 33 35 0 0 1 0 999 V2000 -9.8318 3.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0472 3.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4341 3.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6495 3.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0364 3.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2517 3.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6387 2.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 3.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2409 2.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4563 2.7449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2848 3.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 3.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1646 4.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3441 4.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 3.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4581 3.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2563 3.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2563 4.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9708 3.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6853 3.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3998 3.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1142 3.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 3.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5432 3.6672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2576 3.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9721 3.6672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2576 2.4297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4581 2.4297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2563 2.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 2.0172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0586 2.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8432 2.1928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8871 3.2547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 16 28 1 0 0 0 0 28 29 1 1 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 10 32 1 0 0 0 0 31 33 1 0 0 0 0 12 33 1 0 0 0 0 15 33 1 0 0 0 0 M END > NP0289555 > NP-MRD > CCCCCCCCC[C@H]1CC2CCC3C([C@@H](C)N=C(N1)N23)C(=O)OCCCCNC(N)=N > InChI=1S/C25H46N6O2/c1-3-4-5-6-7-8-9-12-19-17-20-13-14-21-22(18(2)29-25(30-19)31(20)21)23(32)33-16-11-10-15-28-24(26)27/h18-22H,3-17H2,1-2H3,(H,29,30)(H4,26,27,28)/t18-,19+,20?,21?,22?/m1/s1 > ADTVXWWEQNJMHD-SDMFIQJWSA-N > C25H46N6O2 > 462.683 > 462.368224745 > 7 > 79 > 56.961619431923886 > 1 > 4 > 0 > 0 > 4-carbamimidamidobutyl (6R,10S)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.0^{4,12}]dodec-7-ene-5-carboxylate > 3.773701557666666 > 1 > 3 > 2 > 12.071479739808618 > 115.83 > 142.34629999999999 > 15 > 1 > 4-carbamimidamidobutyl (6R,10S)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.0^{4,12}]dodec-7-ene-5-carboxylate > 0 > NP0289555 > 4-carbamimidamidobutyl (6r,10s)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.0⁴,¹²]dodec-7-ene-5-carboxylate $$$$