null CDK 0225161915 null 54 58 0 0 0 0 0 0 0 0999 V2000 -0.3311 5.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4441 5.1462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9744 5.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 5.9215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5014 5.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 6.0393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7835 4.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5014 3.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 3.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 2.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5014 2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2158 2.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2158 3.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9303 2.3085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6448 2.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6448 3.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3592 2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0737 2.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7882 2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5027 2.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2171 2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9316 2.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9316 3.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6461 2.3085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3605 2.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3605 3.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0750 3.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7895 3.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7895 2.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0750 2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0750 1.4835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9744 3.6892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4441 4.3212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3311 4.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9631 4.5693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8198 5.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7384 4.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3703 4.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1456 4.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7776 5.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6343 5.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 6.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2271 5.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2663 6.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0415 6.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1848 5.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9601 5.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5920 5.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4488 6.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6735 6.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 6.7339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7054 7.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2982 7.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 8.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 30 31 1 0 0 0 0 9 32 1 0 0 0 0 32 33 1 0 0 0 0 33 2 1 0 0 0 0 33 34 1 6 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 38 1 0 0 0 0 41 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 45 1 0 0 0 0 4 51 1 0 0 0 0 51 52 1 6 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 M END > CHEBI:127914 > N'-(2-aminophenyl)-N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide > 2 > C43H53N5O6 > 735.912 > 735.39958 > 0 > C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)O[C@@H]1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)[C@@H](C)CO > InChI=1S/C43H53N5O6/c1-30-26-48(31(2)29-49)43(52)25-33-24-34(45-41(50)16-8-5-9-17-42(51)46-38-15-11-10-14-37(38)44)20-23-39(33)54-40(30)28-47(3)27-32-18-21-36(22-19-32)53-35-12-6-4-7-13-35/h4,6-7,10-15,18-24,30-31,40,49H,5,8-9,16-17,25-29,44H2,1-3H3,(H,45,50)(H,46,51)/t30-,31+,40-/m1/s1 > FIGGLCUVZRSRTI-UTLSLIQUSA-N > LSM-39470 $$$$