Mrv1652309032212042D 31 36 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 N 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 0.4670 2.9981 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 1.5604 0.0000 C 0 0 1 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 20 18 1 1 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 25 1 6 0 0 0 21 26 1 0 0 0 0 8 26 1 0 0 0 0 11 26 1 0 0 0 0 9 27 1 0 0 0 0 27 28 1 6 0 0 0 28 29 1 0 0 0 0 27 30 1 0 0 0 0 6 30 1 0 0 0 0 30 31 1 6 0 0 0 M END > NP0173015 > 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=NC(Br)=C(Br)[C@H]3[C@@H]3NC(=N)N[C@]213 > InChI=1S/C17H20Br2ClN9O2/c18-6-5-7(24-11(6)19)12(30)29-2-4-3(1-21)9(20)16(13(31)26-15(23)27-16)8(4)17(29)10(5)25-14(22)28-17/h3-5,8-10,13,31H,1-2,21H2,(H3,22,25,28)(H3,23,26,27)/t3-,4+,5-,8+,9-,10+,13-,16+,17-/m1/s1 > ILUMIDOMLAKBGK-NXOIRWDYSA-N > C17H20Br2ClN9O2 > 577.67 > 574.979525 > 10 > 51 > 47.36631788389099 > 0 > 8 > 0 > 0 > (1'R,4R,5R,5'S,6'S,14'R,15'S,16'R,18'S)-15'-(aminomethyl)-7',8'-dibromo-16'-chloro-5-hydroxy-2,3'-diimino-2',4',9',12'-tetraazaspiro[imidazolidine-4,17'-pentacyclo[10.6.0.0^{1,5}.0^{6,10}.0^{14,18}]octadecane]-7',9'-dien-11'-one > 0.03 > -1.985158022421366 > -3.47 > 0 > 6 > 3 > 12.86815976415944 > 6.642498258986921 > 10.604207545760843 > 174.74 > 147.71970000000002 > 1 > 0 > 1.96e-01 g/l > (1'R,4R,5R,5'S,6'S,14'R,15'S,16'R,18'S)-15'-(aminomethyl)-7',8'-dibromo-16'-chloro-5-hydroxy-2,3'-diimino-2',4',9',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 > NP0173015 > (1'r,4r,5r,5's,6's,14'r,15's,16'r,18's)-15'-(aminomethyl)-7',8'-dibromo-16'-chloro-5-hydroxy-2,3'-diimino-2',4',9',12'-tetraazaspiro[imidazolidine-4,17'-pentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹⁴,¹⁸]octadecane]-7',9'-dien-11'-one $$$$