54729568 -OEChem-03292411372D 53 54 0 1 0 0 0 0 0999 V2000 8.4343 -2.5956 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -2.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -1.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3198 -4.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -4.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3362 -0.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -0.2296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3362 1.7704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4702 4.2704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -1.7296 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0682 -1.2296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9343 -1.7296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3083 -1.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -2.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -1.7088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4022 -2.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -3.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9343 -1.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4343 -0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -3.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 1.2704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0682 1.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3362 2.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4702 3.2704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6042 2.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 -1.1096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6052 -0.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7129 -0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9147 -0.7159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 -2.0178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7914 -2.6443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1932 -3.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6052 0.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5169 -1.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8266 -1.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9712 -1.1736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7443 -0.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8973 -0.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 1.8904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 -4.5804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3783 1.2335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6052 2.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7582 2.3073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7993 1.4604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0071 3.5804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2942 3.3073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0672 2.4604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9141 2.2335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9332 4.5804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0071 4.5804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 13 1 0 0 0 0 2 21 1 0 0 0 0 16 3 1 1 0 0 0 3 41 1 0 0 0 0 4 18 1 0 0 0 0 4 43 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 25 2 0 0 0 0 12 8 1 1 0 0 0 8 22 1 0 0 0 0 8 35 1 0 0 0 0 23 9 1 1 0 0 0 9 25 1 0 0 0 0 9 47 1 0 0 0 0 26 10 1 6 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 19 1 1 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 18 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M END > 54729568 > 1 > 669 > 7 > 5 > 5 > AAADceB7OAAEAAAAAAAAAAAAAAAAAAAAAAAkQAAAAAAAAACAAAAAHgIQCAAADX/hgEYCCALABgCIAgHQGAAAAAAgIAAACIGIA0gCVBIBoCAXUAAF1gCYIQO87PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-2-amino-N-[(1S)-2-[[(3S,4R,6S)-3-(chloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]amino]-1-methyl-2-oxo-ethyl]propanamide > (2S)-2-amino-N-[(2S)-1-[[(3S,4R,6S)-3-(chloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-2-benzopyran-4-yl]amino]-1-oxopropan-2-yl]propanamide > (2S)-2-amino-N-[(2S)-1-[[(3S,4R,6S)-3-(chloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]amino]-1-oxopropan-2-yl]propanamide > (2S)-2-amino-N-[(2S)-1-[[(3S,4R,6S)-3-(chloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]amino]-1-oxopropan-2-yl]propanamide > (2S)-2-azanyl-N-[(2S)-1-[[(3S,4R,6S)-3-(chloromethyl)-3-methyl-6,8-bis(oxidanyl)-1-oxidanylidene-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]amino]-1-oxidanylidene-propan-2-yl]propanamide > (2S)-2-amino-N-[(1S)-2-[[(3S,4R,6S)-3-(chloromethyl)-6,8-dihydroxy-1-keto-3-methyl-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]amino]-2-keto-1-methyl-ethyl]propionamide > InChI=1S/C17H26ClN3O6/c1-7(19)14(24)20-8(2)15(25)21-13-10-4-9(22)5-11(23)12(10)16(26)27-17(13,3)6-18/h7-10,13,22-23H,4-6,19H2,1-3H3,(H,20,24)(H,21,25)/t7-,8-,9-,10?,13+,17+/m0/s1 > DLGGSSODBWGZOD-FVDCVLEMSA-N > -0.4 > 403.1510133 > C17H26ClN3O6 > 403.9 > CC(C(=O)NC(C)C(=O)NC1C2CC(CC(=C2C(=O)OC1(C)CCl)O)O)N > C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H]1C2C[C@@H](CC(=C2C(=O)O[C@]1(C)CCl)O)O)N > 151 > 403.1510133 > 0 > 27 > 5 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 26 10 6 11 14 3 13 19 5 16 3 5 12 8 5 23 9 5 $$$$