null CDK 0225161918 null 52 56 0 0 0 0 0 0 0 0999 V2000 0.8395 -2.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9472 -1.2697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2327 -0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0192 -0.0603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4317 0.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0706 1.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2286 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6575 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6575 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 2.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2286 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3720 0.4552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0864 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0864 1.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8009 0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5154 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2299 0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9443 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6588 0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3733 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3733 1.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0877 0.4552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8022 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8022 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5167 2.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2312 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2312 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5167 0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5167 -0.3698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1566 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7441 -1.0562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2463 -1.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9306 -2.4729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1126 -2.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4328 -3.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1171 -3.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6193 -4.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3036 -5.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4857 -5.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9834 -4.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -3.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1699 -6.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6722 -6.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 -7.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5385 -7.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 -7.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -6.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7988 0.0474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1145 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1189 -0.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 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 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 29 30 1 0 0 0 0 8 31 1 0 0 0 0 31 32 1 0 0 0 0 32 2 1 0 0 0 0 32 33 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 43 44 2 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 43 1 0 0 0 0 4 49 1 0 0 0 0 49 50 1 1 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 M END > CHEBI:130358 > N-(2-aminophenyl)-N'-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide > 2 > C42H51N5O5 > 705.886 > 705.38902 > 0 > C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)O[C@@H]1CN(C)CC4=CC=C(C=C4)C5=CC=CC=C5)[C@H](C)CO > InChI=1S/C42H51N5O5/c1-29-25-47(30(2)28-48)42(51)34-15-12-18-37(45-40(50)20-9-5-8-19-39(49)44-36-17-11-10-16-35(36)43)41(34)52-38(29)27-46(3)26-31-21-23-33(24-22-31)32-13-6-4-7-14-32/h4,6-7,10-18,21-24,29-30,38,48H,5,8-9,19-20,25-28,43H2,1-3H3,(H,44,49)(H,45,50)/t29-,30+,38+/m0/s1 > NKYSZIASVRRVQA-FCUWZOGCSA-N > LSM-41907 $$$$