CDK 9/10/12,15:49 49 51 0 0 0 0 0 0 0 0999 V2000 -0.6292 -9.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -8.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -11.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -11.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6292 -10.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 -8.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -12.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -11.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -9.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -9.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -10.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1958 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -11.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -7.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6292 -12.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6292 -13.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 -13.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 -12.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 -13.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -17.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -16.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6292 -15.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6292 -14.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0208 -7.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -13.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -13.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -18.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 -15.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 -14.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -13.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2042 -13.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -16.8208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2792 -7.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 -10.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6583 -17.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6583 -18.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -17.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2042 -11.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -15.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -15.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -16.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -14.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3708 -16.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -15.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -17.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -8.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -8.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 5 1 1 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 10 1 0 0 0 0 7 4 1 0 0 0 0 8 13 1 0 0 0 0 9 1 1 0 0 0 0 10 1 1 0 0 0 0 11 3 1 0 0 0 0 12 2 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 4 15 1 6 0 0 0 16 15 1 0 0 0 0 17 18 1 0 0 0 0 8 18 1 1 0 0 0 19 6 1 0 0 0 0 20 16 1 0 0 0 0 21 34 1 0 0 0 0 22 21 1 0 0 0 0 23 25 1 0 0 0 0 24 19 1 0 0 0 0 31 25 1 6 0 0 0 26 12 2 0 0 0 0 27 17 2 0 0 0 0 28 16 2 0 0 0 0 29 21 2 0 0 0 0 30 23 2 0 0 0 0 31 20 1 0 0 0 0 7 32 1 6 0 0 0 33 17 1 0 0 0 0 34 42 1 0 0 0 0 19 35 1 6 0 0 0 13 36 1 1 0 0 0 37 22 1 0 0 0 0 37 38 1 6 0 0 0 39 43 1 0 0 0 0 40 36 1 0 0 0 0 41 23 1 0 0 0 0 42 46 1 0 0 0 0 43 47 1 0 0 0 0 44 31 1 0 0 0 0 45 37 1 0 0 0 0 46 44 1 0 0 0 0 47 45 1 0 0 0 0 2 48 1 6 0 0 0 6 49 1 1 0 0 0 6 2 1 0 0 0 0 14 24 1 0 0 0 0 8 7 1 0 0 0 0 M END > CHEBI:67578 > Nbeta-acetylstreptothricin E > A natural product found in Streptomyces sp. I08A 1776. > 2 > beta-D-Gulopyranosylamine, 2-[[(3S)-3-(acetylamino)-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-2-deoxy-N-[(3aS,7R,7aS)-octahydro-7-hydroxy-4-oxo-2H-imidazo[4,5-c]pyridin-2-ylidene]-, 4-carbamate; AN-201 I > C27H48N10O10 > 672.73100 > 672.35549 > 0 > [H][C@]12N\C(N[C@]1([H])C(=O)NC[C@H]2O)=N/[C@@H]1O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]1NC(=O)C[C@H](CCCNC(=O)C[C@@H](N)CCCN)NC(C)=O > InChI=1S/C27H48N10O10/c1-12(39)33-14(5-3-7-31-17(41)8-13(29)4-2-6-28)9-18(42)34-21-22(43)23(47-26(30)45)16(11-38)46-25(21)37-27-35-19-15(40)10-32-24(44)20(19)36-27/h13-16,19-23,25,38,40,43H,2-11,28-29H2,1H3,(H2,30,45)(H,31,41)(H,32,44)(H,33,39)(H,34,42)(H2,35,36,37)/t13-,14-,15+,16+,19+,20-,21+,22-,23-,25+/m0/s1 > UESKGPZDXYFMJF-IVVRDDJBSA-N > 21510638 $$$$