54657116 -OEChem-05052423412D 65 69 0 1 0 0 0 0 0999 V2000 7.2342 -1.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8353 -1.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2180 1.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 0.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0783 -0.9142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6180 0.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6117 1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8353 0.7654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2065 0.5825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1282 -0.9417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2342 0.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -0.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8353 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8353 0.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4526 1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5424 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5424 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -0.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4363 0.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4363 -1.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3424 0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3424 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0744 0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9385 0.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8065 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9347 1.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6706 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6667 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7988 2.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1985 1.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0237 0.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0237 -1.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6388 1.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8406 1.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1191 0.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7173 -0.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3318 -1.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 -1.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9957 -2.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0674 -1.9423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8644 -1.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0254 1.9266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2153 2.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8798 1.4521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4292 1.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4292 -2.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 -2.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8781 -1.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2608 -0.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 -0.5024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2041 1.2025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -0.9434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -2.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8089 -0.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3965 1.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7964 2.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6609 0.6888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6577 1.5182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 3 18 2 0 0 0 0 4 22 2 0 0 0 0 5 29 2 0 0 0 0 6 33 1 0 0 0 0 6 36 1 0 0 0 0 7 34 1 0 0 0 0 7 36 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 22 1 0 0 0 0 9 27 1 0 0 0 0 9 53 1 0 0 0 0 10 25 1 0 0 0 0 10 29 1 0 0 0 0 10 57 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 1 0 0 0 12 16 1 0 0 0 0 12 38 1 6 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 1 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 22 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 23 25 2 0 0 0 0 23 51 1 0 0 0 0 24 26 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 61 1 0 0 0 0 32 35 2 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 M END > 54657116 > 1 > 825 > 7 > 2 > 5 > AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAA0YIAAAAAWAEgBQAAAHgAQAAAADDzhmAcyzoPABACIAiVSUACCCAAlIgAIiIEO7MgfJjbEtZunOWrm9hHe6Ye+3LLOIEABQAAIQABAgAKAABCAAAAAAAAAAA== > N-[(2R,4aS,12aS)-2-[2-(ethylamino)-2-oxo-ethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide > N-[(2R,4aS,12aS)-2-[2-(ethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide > N-[(2R,4aS,12aS)-2-[2-(ethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide > N-[(2R,4aS,12aS)-2-[2-(ethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide > N-[(2R,4aS,12aS)-2-[2-(ethylamino)-2-oxidanylidene-ethyl]-5-methyl-6-oxidanylidene-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide > N-[(2R,4aS,12aS)-2-[2-(ethylamino)-2-keto-ethyl]-6-keto-5-methyl-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-piperonylamide > InChI=1S/C26H29N3O7/c1-3-27-24(30)12-17-6-7-19-23(36-17)13-33-20-9-5-16(11-18(20)26(32)29(19)2)28-25(31)15-4-8-21-22(10-15)35-14-34-21/h4-5,8-11,17,19,23H,3,6-7,12-14H2,1-2H3,(H,27,30)(H,28,31)/t17-,19+,23-/m1/s1 > XRADVZUPMFTAIH-HFJQGTKSSA-N > 1.9 > 495.20055027 > C26H29N3O7 > 495.5 > CCNC(=O)CC1CCC2C(O1)COC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)N2C > CCNC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)N2C > 115 > 495.20055027 > 0 > 36 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 37 5 12 38 6 15 17 5 20 21 8 20 23 8 21 24 8 23 25 8 24 26 8 25 26 8 30 31 8 30 32 8 31 33 8 32 35 8 33 34 8 34 35 8 $$$$