11542188 -OEChem-05102406512D 118119 0 1 0 0 0 0 0999 V2000 6.3301 0.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 1.3929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4321 1.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1478 4.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2089 2.4733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 2.3200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6126 2.7312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0499 3.7604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6952 3.8115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6551 2.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9641 3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6615 3.0402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2242 2.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9184 2.3711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9673 2.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4536 4.0183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1968 4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5026 4.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3557 3.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3068 3.0913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8205 1.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9888 5.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5147 2.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0773 1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4657 1.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7715 1.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0010 3.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7441 4.1205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -3.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5362 5.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2794 5.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5852 5.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4383 4.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2215 1.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0887 2.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3451 1.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 3.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3576 3.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5706 3.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8993 3.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1223 3.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5080 2.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2584 3.2275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4788 3.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3247 4.6248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 1.2691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 0.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5253 4.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7716 4.9197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6941 4.9170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9129 4.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3110 3.7377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1779 3.6977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2140 1.6241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9494 1.1466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4269 1.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -0.7678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -0.7678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5953 5.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8599 6.2721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3824 5.5367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9250 2.3047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8858 0.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6670 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2689 1.6736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9210 4.3669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2742 1.2145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0554 1.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6573 2.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3567 1.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3108 1.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1864 0.9833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -3.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2049 4.5354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4073 5.7051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8241 3.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6942 5.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7401 6.1827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8645 6.2286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7767 5.9974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9955 5.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3936 4.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8532 4.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8991 4.8955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0235 4.9414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.3878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 6 0 0 0 1 31 1 0 0 0 0 21 2 1 6 0 0 0 2 35 1 0 0 0 0 3 20 2 0 0 0 0 4 25 2 0 0 0 0 5 28 2 0 0 0 0 36 6 1 6 0 0 0 6103 1 0 0 0 0 7 40 2 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 19 9 1 6 0 0 0 9 28 1 0 0 0 0 9 30 1 0 0 0 0 10 25 1 0 0 0 0 34 10 1 6 0 0 0 10 81 1 0 0 0 0 29 11 1 1 0 0 0 11 40 1 0 0 0 0 11 90 1 0 0 0 0 41 12 1 6 0 0 0 12 48 1 0 0 0 0 12104 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 52 1 1 0 0 0 14 16 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 18 1 0 0 0 0 15 55 1 0 0 0 0 16 17 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 24 1 6 0 0 0 18 25 1 0 0 0 0 18 60 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 61 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 1 0 0 0 23 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 26 32 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 29 1 0 0 0 0 29 33 1 0 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 33 37 1 0 0 0 0 33 38 1 0 0 0 0 33 85 1 0 0 0 0 34 36 1 0 0 0 0 34 39 1 0 0 0 0 34 86 1 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 35 89 1 0 0 0 0 36 42 1 0 0 0 0 36 91 1 0 0 0 0 37 92 1 0 0 0 0 37 93 1 0 0 0 0 37 94 1 0 0 0 0 38 95 1 0 0 0 0 38 96 1 0 0 0 0 38 97 1 0 0 0 0 39 98 1 0 0 0 0 39 99 1 0 0 0 0 39100 1 0 0 0 0 40 41 1 0 0 0 0 41 43 1 0 0 0 0 41101 1 0 0 0 0 42 46 2 0 0 0 0 42 47 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43102 1 0 0 0 0 44105 1 0 0 0 0 44106 1 0 0 0 0 44107 1 0 0 0 0 45108 1 0 0 0 0 45109 1 0 0 0 0 45110 1 0 0 0 0 46 49 1 0 0 0 0 46111 1 0 0 0 0 47 50 2 0 0 0 0 47112 1 0 0 0 0 48113 1 0 0 0 0 48114 1 0 0 0 0 48115 1 0 0 0 0 49 51 2 0 0 0 0 49116 1 0 0 0 0 50 51 1 0 0 0 0 50117 1 0 0 0 0 51118 1 0 0 0 0 M END > 11542188 > 1 > 1100 > 8 > 4 > 20 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAQCAAADTzhmAYyAIPABgCIAiFSEAACAAAgAAAIiIGICIgKdjaAkTGVcAAm9gGYmAec2OKOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-N-[(1S)-1-[[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]-1-methoxy-2-methyl-3-oxo-propyl]pyrrolidin-1-yl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxo-butyl]-methyl-carbamoyl]-2-methyl-propyl]-3-methyl-2-(methylamino)butanamide > (2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide > (2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide > (2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide > (2S)-N-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxidanylidene-3-[[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxidanylidene-heptan-4-yl]-methyl-amino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-2-(methylamino)butanamide > (2S)-N-[(1S)-1-[[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]-3-keto-1-methoxy-2-methyl-propyl]pyrrolidino]-4-keto-2-methoxy-1-[(1S)-1-methylpropyl]butyl]-methyl-carbamoyl]-2-methyl-propyl]-3-methyl-2-(methylamino)butyramide > InChI=1S/C39H67N5O7/c1-13-25(6)34(43(10)39(49)33(24(4)5)42-38(48)32(40-9)23(2)3)30(50-11)22-31(45)44-21-17-20-29(44)36(51-12)26(7)37(47)41-27(8)35(46)28-18-15-14-16-19-28/h14-16,18-19,23-27,29-30,32-36,40,46H,13,17,20-22H2,1-12H3,(H,41,47)(H,42,48)/t25-,26+,27+,29-,30+,32-,33-,34-,35+,36+/m0/s1 > DASWEROEPLKSEI-UIJRFTGLSA-N > 4.1 > 717.50404949 > C39H67N5O7 > 718.0 > CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC > CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC > 150 > 717.50404949 > 0 > 51 > 10 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 1 6 34 10 6 29 11 5 41 12 6 13 52 5 18 24 6 21 2 6 23 27 5 42 46 8 42 47 8 46 49 8 47 50 8 49 51 8 50 51 8 36 6 6 19 9 6 $$$$