Mrv1652309072216572D 30 35 0 0 1 0 999 V2000 3.1727 2.9700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4691 2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2662 1.9873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3103 1.1635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0026 0.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5404 0.8671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9846 1.3967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7705 0.5706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8145 -0.2532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0446 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5247 0.0910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7008 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 -0.5590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3255 0.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4716 1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5156 1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 2.3532 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2543 2.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 1.5604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 1.5181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1808 2.1020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9163 1.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0445 2.5432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7881 0.9132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 0.7834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6116 -0.4659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9080 -1.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3895 -1.8775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0602 0.2265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8840 0.2705 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 6 0 0 0 4 6 1 0 0 0 0 6 7 1 6 0 0 0 2 7 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 18 19 1 0 0 0 0 14 19 1 0 0 0 0 20 19 1 6 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 24 1 6 0 0 0 20 25 1 0 0 0 0 8 25 1 0 0 0 0 11 25 1 0 0 0 0 9 26 1 0 0 0 0 26 27 1 6 0 0 0 27 28 1 0 0 0 0 26 29 1 0 0 0 0 6 29 1 0 0 0 0 29 30 1 6 0 0 0 M END > NP0251695 > NP-MRD > NC[C@H]1[C@@H](Cl)[C@@]2(NC(=N)N[C@@H]2O)[C@@H]2[C@H]1CN1C(=O)C3=CC(Br)=CN3[C@@H]3NC(=N)N[C@]213 > InChI=1S/C17H21BrClN9O2/c18-5-1-8-11(29)28-4-7-6(2-20)10(19)16(13(30)24-15(22)25-16)9(7)17(28)12(27(8)3-5)23-14(21)26-17/h1,3,6-7,9-10,12-13,30H,2,4,20H2,(H3,21,23,26)(H3,22,24,25)/t6-,7+,9+,10-,12+,13-,16+,17-/m1/s1 > ZOAVDZVKZJOQGB-HQYRTZSVSA-N > C17H21BrClN9O2 > 498.77 > 497.069012 > 9 > 51 > 44.38730903113706 > 1 > 8 > 0 > 0 > (1'R,4R,5R,5'S,14'R,15'S,16'R,18'S)-15'-(aminomethyl)-8'-bromo-16'-chloro-5-hydroxy-2,3'-diimino-2',4',6',12'-tetraazaspiro[imidazolidine-4,17'-pentacyclo[10.6.0.0^{1,5}.0^{6,10}.0^{14,18}]octadecane]-7',9'-dien-11'-one > -0.8023499253333333 > 0 > 6 > 3 > 12.865044049272825 > 9.973541443972051 > 167.31 > 130.285 > 1 > 0 > (1'R,4R,5R,5'S,14'R,15'S,16'R,18'S)-15'-(aminomethyl)-8'-bromo-16'-chloro-5-hydroxy-2,3'-diimino-2',4',6',12'-tetraazaspiro[imidazolidine-4,17'-pentacyclo[10.6.0.0^{1,5}.0^{6,10}.0^{14,18}]octadecane]-7',9'-dien-11'-one > 0 > NP0251695 > (1'r,4r,5r,5's,14'r,15's,16'r,18's)-15'-(aminomethyl)-8'-bromo-16'-chloro-5-hydroxy-2,3'-diimino-2',4',6',12'-tetraazaspiro[imidazolidine-4,17'-pentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹⁴,¹⁸]octadecane]-7',9'-dien-11'-one $$$$