44484023 -OEChem-04252421042D 78 81 0 1 0 0 0 0 0999 V2000 2.0000 6.2304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 3.4020 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8259 1.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8808 -2.8785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7634 -0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9390 2.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 2.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5355 4.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4390 1.3227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5355 2.6949 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.5972 -2.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1324 2.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9405 -4.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2086 2.2466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1495 -4.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8659 -4.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0563 2.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2839 -5.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0002 -5.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2092 -6.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5015 2.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4390 1.3227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1324 3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8062 -3.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0563 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1324 0.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2086 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4628 -1.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9390 2.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9390 0.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2843 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3725 -0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 -1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2767 1.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 4.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1554 3.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 4.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 5.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 5.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6480 2.9737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4310 -3.8692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6005 2.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 -4.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5590 -5.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4854 -4.6523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9977 -4.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6710 2.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1372 2.8613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6644 -5.8266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 -6.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2886 -6.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5908 -5.4299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8781 -6.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6680 -6.6475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0093 3.3093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2394 3.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1290 0.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7524 3.6292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1324 4.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5124 3.6292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1709 -2.8808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0467 2.7993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3564 2.4008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4021 0.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2490 -0.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4759 0.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8598 -1.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 0.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6778 1.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1162 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8756 1.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0072 -1.6318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2490 2.7256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9949 3.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 5.2355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 4.3969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8335 6.3810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 10 1 0 0 0 0 2 35 1 0 0 0 0 3 14 1 0 0 0 0 3 27 1 0 0 0 0 4 24 2 0 0 0 0 5 25 2 0 0 0 0 6 29 1 0 0 0 0 6 74 1 0 0 0 0 9 17 1 0 0 0 0 9 22 1 0 0 0 0 9 25 1 0 0 0 0 10 21 1 0 0 0 0 10 34 1 0 0 0 0 11 24 1 0 0 0 0 11 28 1 0 0 0 0 11 62 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 6 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 24 1 0 0 0 0 13 42 1 0 0 0 0 14 21 1 1 0 0 0 14 43 1 0 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 19 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 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 1 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 32 1 0 0 0 0 28 31 2 0 0 0 0 28 33 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 68 1 0 0 0 0 32 33 2 0 0 0 0 32 69 1 0 0 0 0 33 73 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 75 1 0 0 0 0 37 39 2 0 0 0 0 37 76 1 0 0 0 0 38 40 2 0 0 0 0 38 77 1 0 0 0 0 39 40 1 0 0 0 0 39 78 1 0 0 0 0 M END > 44484023 > 1 > 963 > 7 > 2 > 8 > AAADcfB7OABEAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAWAAABQAAAHgYQSAAADT7h2CYyx4PABgKIAiVSUHDCCBAlJwAIiBkObsgONjbFt5uHeWjm9hHY6Ye8yCCOAEIAQAAIAAAAhACAABAAAAAAAAAAAA== > N-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methyl-amino]methyl]-5-[(1R)-2-hydroxy-1-methyl-ethyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide > N-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide > N-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide > N-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide > N-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methyl-amino]methyl]-3-methyl-6-oxidanylidene-5-[(2R)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide > N-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methyl-amino]methyl]-5-[(1R)-2-hydroxy-1-methyl-ethyl]-6-keto-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide > InChI=1S/C29H38ClN3O6S/c1-19-16-33(20(2)18-34)29(36)25-15-23(31-28(35)21-7-5-4-6-8-21)11-14-26(25)39-27(19)17-32(3)40(37,38)24-12-9-22(30)10-13-24/h9-15,19-21,27,34H,4-8,16-18H2,1-3H3,(H,31,35)/t19-,20-,27+/m1/s1 > NJHUJZWBYRHXDV-DVHCVUMVSA-N > 4.5 > 591.2169848 > C29H38ClN3O6S > 592.1 > CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CCCCC3)OC1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)C(C)CO > C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CCCCC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@H](C)CO > 125 > 591.2169848 > 0 > 40 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 23 6 14 21 5 22 30 5 26 27 8 26 31 8 27 32 8 28 31 8 28 33 8 32 33 8 35 36 8 35 37 8 36 38 8 37 39 8 38 40 8 39 40 8 $$$$