44202341 -OEChem-03192405142D 75 78 0 1 0 0 0 0 0999 V2000 9.2915 1.4284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6080 -2.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1557 1.2548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7293 4.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9972 2.4132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 -2.4623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.4132 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7264 -4.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 -5.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3722 -4.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2312 3.0560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 2.4132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5490 -3.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2312 3.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8633 2.9132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8892 3.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7312 0.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1709 1.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6709 0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7915 0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1351 -1.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9279 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8633 3.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7293 2.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9833 -0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1563 -1.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1086 -4.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7770 -4.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3904 -5.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5865 -5.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9079 -4.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6323 3.2165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9032 2.1512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7492 3.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0534 3.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 3.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 3.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8633 2.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4718 4.2078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6771 4.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3066 3.7836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8960 -2.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7069 -0.0566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2742 0.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5129 -1.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6512 4.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2527 3.8056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4193 1.8763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2662 2.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0393 2.9502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 3.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 3.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4032 0.1240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 -1.5186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1131 1.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 1.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7293 5.0332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 23 1 0 0 0 0 2 15 2 0 0 0 0 3 21 2 0 0 0 0 4 26 1 0 0 0 0 4 70 1 0 0 0 0 5 38 1 0 0 0 0 5 75 1 0 0 0 0 6 38 2 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 8 15 1 0 0 0 0 8 24 1 0 0 0 0 8 54 1 0 0 0 0 9 17 1 0 0 0 0 9 28 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 1 0 0 0 13 44 1 0 0 0 0 14 17 1 1 0 0 0 14 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 6 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 29 1 0 0 0 0 24 25 2 0 0 0 0 24 30 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 32 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 30 2 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 71 1 0 0 0 0 34 36 2 0 0 0 0 34 72 1 0 0 0 0 35 37 2 0 0 0 0 35 73 1 0 0 0 0 36 37 1 0 0 0 0 36 74 1 0 0 0 0 37 38 1 0 0 0 0 M END > 44202341 > 1 > 827 > 7 > 3 > 9 > AAADcfB7OAAAAAAAAAAAAAAAGAAAAAAAAAAwYAAAAAAAAFgBQAAAHgAQCAAADTzhmAYyzoPABgCIAiXSWACCCAAlIgAIiAEObMgONjLEtZuHeSjm1hHY+Ye6ybCeQEAAQAAIAACAgACAABAAAAAAAAAAAA== > 4-[[[(2R,3S)-9-(cyclopropanecarbonylamino)-5-[(1S)-2-hydroxy-1-methyl-ethyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methyl-amino]methyl]benzoic acid > 4-[[[(2R,3S)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid > 4-[[[(2R,3S)-9-(cyclopropanecarbonylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid > 4-[[[(2R,3S)-9-(cyclopropanecarbonylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid > 4-[[[(2R,3S)-9-(cyclopropylcarbonylamino)-3-methyl-6-oxidanylidene-5-[(2S)-1-oxidanylpropan-2-yl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methyl-amino]methyl]benzoic acid > 4-[[[(2R,3S)-9-(cyclopropanecarbonylamino)-5-[(1S)-2-hydroxy-1-methyl-ethyl]-6-keto-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methyl-amino]methyl]benzoic acid > InChI=1S/C29H37N3O6/c1-18-14-32(19(2)17-33)27(34)13-23-12-24(30-28(35)21-8-9-21)10-11-25(23)38-26(18)16-31(3)15-20-4-6-22(7-5-20)29(36)37/h4-7,10-12,18-19,21,26,33H,8-9,13-17H2,1-3H3,(H,30,35)(H,36,37)/t18-,19-,26-/m0/s1 > RHIGXZRNAAHAOD-DGUDUIIESA-N > 0.1 > 523.26823591 > C29H37N3O6 > 523.6 > CC1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)OC1CN(C)CC4=CC=C(C=C4)C(=O)O)C(C)CO > C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)O[C@H]1CN(C)CC4=CC=C(C=C4)C(=O)O)[C@@H](C)CO > 119 > 523.26823591 > 0 > 38 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 19 5 14 17 5 18 27 6 20 23 8 20 25 8 23 29 8 24 25 8 24 30 8 29 30 8 32 33 8 32 34 8 33 35 8 34 36 8 35 37 8 36 37 8 $$$$