60159041 -OEChem-04242417322D 60 63 0 1 0 0 0 0 0999 V2000 14.0821 -1.4311 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3701 -1.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9712 -1.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3539 1.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 0.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2142 -0.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9712 0.7452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3424 0.5622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0744 0.5689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.0381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2641 -0.9619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3701 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9712 -1.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -1.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9712 0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5885 1.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6783 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6783 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5722 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5722 -1.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4783 0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4783 -0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2103 0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9424 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9462 -0.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8065 0.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8142 -1.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6744 0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6783 -0.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1596 0.8816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1596 -1.8055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7747 1.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9765 1.0517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 -0.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 -1.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4343 -1.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1317 -2.2679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 -1.9626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 -1.9595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1613 1.9063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3512 2.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0157 1.4318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5651 1.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5651 -2.1166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0140 -1.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3400 1.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -0.4580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -1.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0720 1.1889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8041 1.1956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8166 -2.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2102 0.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2164 -1.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 21 1 0 0 0 0 4 18 2 0 0 0 0 5 22 1 0 0 0 0 5 27 1 0 0 0 0 6 22 2 0 0 0 0 7 28 2 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 25 1 0 0 0 0 9 28 1 0 0 0 0 9 52 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 56 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 1 0 0 0 12 16 1 0 0 0 0 12 36 1 1 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 1 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 22 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 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 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 26 51 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 31 57 1 0 0 0 0 32 34 1 0 0 0 0 32 58 1 0 0 0 0 33 34 2 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 M END > 60159041 > 1 > 754 > 7 > 2 > 5 > AAADceB7OQAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAWAAABQAAAHwAQAAAADDzhmA4zzoPABACIAiXSWACCCAAlIgAIiAEObMiPJjbEtZuHOWjv9hPa6ae8yKCOAEAAQAAIAAAAgACAABAAAAAAAAAAAA== > methyl 2-[(2R,4aS,12aR)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate > 2-[(2R,4aS,12aR)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester > methyl 2-[(2R,4aS,12aR)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate > methyl 2-[(2R,4aS,12aR)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate > methyl 2-[(2R,4aS,12aR)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxidanylidene-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]ethanoate > 2-[(2R,4aS,12aR)-8-[(2-fluorophenyl)carbamoylamino]-6-keto-5-methyl-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester > InChI=1S/C24H26FN3O6/c1-28-19-9-8-15(12-22(29)32-2)34-21(19)13-33-20-10-7-14(11-16(20)23(28)30)26-24(31)27-18-6-4-3-5-17(18)25/h3-7,10-11,15,19,21H,8-9,12-13H2,1-2H3,(H2,26,27,31)/t15-,19+,21+/m1/s1 > PNPHUJMVPAWXSV-JJXUHFIVSA-N > 2.2 > 471.18056372 > C24H26FN3O6 > 471.5 > CN1C2CCC(OC2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4F)CC(=O)OC > CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4F)CC(=O)OC > 106 > 471.18056372 > 0 > 34 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 35 5 12 36 5 15 17 5 20 21 8 20 23 8 21 24 8 23 25 8 24 26 8 25 26 8 29 30 8 29 31 8 30 32 8 31 33 8 32 34 8 33 34 8 $$$$