37768 -OEChem-05201316222D 83 85 0 1 0 0 0 0 0999 V2000 6.8671 1.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5992 -2.8865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5991 -1.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 -2.8865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5992 -4.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.1545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.8455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 -4.6186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.6545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -0.6545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.3455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 0.3455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -1.1545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -0.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.3455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0992 -2.0205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 3.3455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 3.8455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0991 -2.0205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 3.3455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5991 -2.8865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 2.3455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0992 -3.7525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0992 -3.7526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5992 -4.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -1.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.5468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -1.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4092 -1.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7191 -2.0205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 3.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9091 -2.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7192 -3.7525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -3.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 1.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 2.4281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4915 -5.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1818 -4.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 5.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2191 -1.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 3.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9091 -3.4235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2892 -5.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -0.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2891 -5.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2891 -4.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 0.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -2.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -2.0468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 6 0 0 0 25 1 1 6 0 0 0 20 2 1 6 0 0 0 26 2 1 6 0 0 0 22 3 1 1 0 0 0 3 59 1 0 0 0 0 4 25 1 0 0 0 0 4 32 1 0 0 0 0 5 26 1 0 0 0 0 5 34 1 0 0 0 0 27 6 1 6 0 0 0 6 69 1 0 0 0 0 29 7 1 6 0 0 0 7 70 1 0 0 0 0 30 8 1 6 0 0 0 8 71 1 0 0 0 0 31 9 1 1 0 0 0 9 72 1 0 0 0 0 33 10 1 6 0 0 0 10 73 1 0 0 0 0 11 35 2 0 0 0 0 12 36 1 0 0 0 0 12 78 1 0 0 0 0 38 13 1 1 0 0 0 13 79 1 0 0 0 0 21 14 1 1 0 0 0 14 35 1 0 0 0 0 14 50 1 0 0 0 0 23 15 1 1 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 28 16 1 1 0 0 0 16 66 1 0 0 0 0 16 67 1 0 0 0 0 17 37 1 0 0 0 0 17 76 1 0 0 0 0 17 77 1 0 0 0 0 18 40 1 0 0 0 0 18 82 1 0 0 0 0 18 83 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 24 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 29 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 30 1 0 0 0 0 28 52 1 0 0 0 0 29 31 1 0 0 0 0 29 53 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 31 33 1 0 0 0 0 31 57 1 0 0 0 0 32 36 1 1 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 34 37 1 1 0 0 0 34 61 1 0 0 0 0 35 38 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 38 39 1 0 0 0 0 38 68 1 0 0 0 0 39 40 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 M END > 37768 > 1 > 819 > 17 > 13 > 10 > AAADcfB7vAAAAAAAAAAAAAAAAAAAAAAAAAA0SIAAAAAAAAAAAAAAHgAQCAAACDzxgAcACALABgAIAAEQEAIAAAAAAAAAAIFIAAATEBIAwAAnQAAHFgCXAAH0cA8AAAAAAAAAAAAAgAAUCACgAAAAAAAAAA== > (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-butanamide > (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-2-oxanyl]oxy]-3-hydroxycyclohexyl]-2-hydroxybutanamide > (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide > (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide > (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-butyramide > InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1 > LKCWBDHBTVXHDL-RMDFUYIESA-N > -7.9 > 585.285736 > C22H43N5O13 > 585.60252 > C1C(C(C(C(C1NC(=O)C(CCN)O)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N > C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N > 332 > 585.285736 > 0 > 40 > 16 > 0 > 0 > 0 > 0 > 1 > 2 > 1 5 255 > 19 1 6 25 1 6 33 10 6 38 13 5 21 14 5 23 15 5 28 16 5 20 2 6 26 2 6 22 3 5 32 36 5 34 37 5 27 6 6 29 7 6 30 8 6 31 9 5 $$$$