Mrv1652304292204202D 40 45 0 0 1 0 999 V2000 0.6294 -1.2352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8843 -0.4506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2169 0.0343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4506 -0.4506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1956 -1.2352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6806 -1.9026 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2352 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8483 -0.7477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6329 -0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8044 0.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1598 -1.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9134 -2.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4655 -1.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 -0.8732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2860 -1.6739 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 -3.0078 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2169 0.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4976 1.2718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4976 2.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2169 2.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2121 2.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9658 2.1738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5178 2.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1053 3.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2983 3.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6852 3.8819 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7093 -0.4506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9642 -1.2352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2968 -1.7201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0419 -2.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2169 -2.5047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0381 -1.7201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7055 -2.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5268 -3.1722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7892 -1.2352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0442 -0.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3767 0.0343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8288 -0.1956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4544 0.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 1 0 0 0 4 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 14 16 1 0 0 0 0 13 17 1 0 0 0 0 3 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 22 26 2 0 0 0 0 26 27 1 0 0 0 0 2 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 1 30 1 1 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 1 33 1 0 0 0 0 33 34 1 1 0 0 0 31 35 1 0 0 0 0 29 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 28 38 1 0 0 0 0 37 39 1 0 0 0 0 28 40 1 6 0 0 0 M END > NP0081372 > NP-MRD > NC1=N[C@@]2(O)[C@@H](N1)N1C(N)=N[C@@H](O)[C@@]11[C@@H](Cl)[C@H](CNC(=O)C3=CC(Br)=C(Br)N3)[C@@H](CNC(=O)C3=C(Br)C=CN3)[C@H]21 > InChI=1S/C22H24Br3ClN10O4/c23-8-1-2-29-11(8)16(38)31-4-6-7(5-30-15(37)10-3-9(24)14(25)32-10)13(26)21-12(6)22(40)17(33-19(27)35-22)36(21)20(28)34-18(21)39/h1-3,6-7,12-13,17-18,29,32,39-40H,4-5H2,(H2,28,34)(H,30,37)(H,31,38)(H3,27,33,35)/t6-,7-,12+,13+,17+,18+,21-,22+/m1/s1 > QJPOEKBYXGAXIH-JPQGAVBOSA-N > C22H24Br3ClN10O4 > 767.66 > 763.922066 > 10 > 64 > 62.90829449061678 > 0 > 9 > 0 > 0 > 4,5-dibromo-N-{[(1S,2S,6S,10S,11S,12S,13S,14S)-4,8-diamino-12-{[(3-bromo-1H-pyrrol-2-yl)formamido]methyl}-14-chloro-2,10-dihydroxy-3,5,7,9-tetraazatetracyclo[9.3.0.0^{1,5}.0^{6,10}]tetradeca-3,8-dien-13-yl]methyl}-1H-pyrrole-2-carboxamide > 1.52 > 0.2965972950000004 > -3.71 > 1 > 6 > 2 > 11.70238699112078 > 11.000978334893057 > 7.481219468743221 > 222.26999999999998 > 153.24020000000004 > 6 > 0 > 1.50e-01 g/l > 4,5-dibromo-N-{[(1S,2S,6S,10S,11S,12S,13S,14S)-4,8-diamino-12-{[(3-bromo-1H-pyrrol-2-yl)formamido]methyl}-14-chloro-2,10-dihydroxy-3,5,7,9-tetraazatetracyclo[9.3.0.0^{1,5}.0^{6,10}]tetradeca-3,8-dien-13-yl]methyl}-1H-pyrrole-2-carboxamide > 0 > NP0081372 > (+)-Nagelamide O $$$$