null CDK 0225161858 null 38 41 0 0 0 0 0 0 0 0999 V2000 7.1977 1.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4146 1.4799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2477 0.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8639 0.1234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 -0.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3132 -1.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9138 -0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2976 -0.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5144 -0.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8982 -0.1063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0651 0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3483 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7384 0.5545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0782 -0.1973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8483 0.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0152 1.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7983 2.0284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9652 2.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7484 3.0957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3646 2.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9153 3.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6985 4.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8654 4.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6485 5.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2648 4.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0979 3.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3147 3.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0479 4.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6642 4.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4473 4.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0635 4.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8966 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1135 3.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4972 3.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6470 0.3828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2633 -0.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8140 1.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5971 1.4502 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 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 2 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 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 22 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 4 35 1 0 0 0 0 35 36 1 6 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 M END > CHEBI:112467 > (8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one > 2 > C29H39N5O4 > 521.652 > 521.30020 > 0 > C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)CC3=CC=C(C=C3)OC4=CC=CC=C4)[C@@H](C)CO > InChI=1S/C29H39N5O4/c1-22-17-33(23(2)20-35)29(36)10-7-15-34-25(16-30-31-34)21-37-28(22)19-32(3)18-24-11-13-27(14-12-24)38-26-8-5-4-6-9-26/h4-6,8-9,11-14,16,22-23,28,35H,7,10,15,17-21H2,1-3H3/t22-,23+,28+/m1/s1 > CUSMSBFNEHNGNQ-IWHLBADBSA-N > LSM-23879 $$$$