null CDK 0225161917 null 30 33 0 0 0 0 0 0 0 0999 V2000 1.6751 -4.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2626 -4.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6751 -3.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2626 -2.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6751 -1.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5001 -1.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9126 -2.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5001 -3.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9126 -1.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5001 -0.5103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6751 -0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1902 0.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4056 0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3791 0.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 0.9187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3791 1.5861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4056 1.3312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1902 1.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6751 2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5001 2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9126 1.6331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5001 0.9187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9126 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7376 0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7376 1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1501 2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9751 2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3876 1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9751 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1501 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 6 9 1 0 0 0 0 10 9 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 13 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 1 0 0 0 0 23 10 1 0 0 0 0 23 24 2 0 0 0 0 21 25 1 6 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 M END > CHEBI:129301 > (5S,8S)-8-[(4-methoxyphenyl)methyl]-5-phenyl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one > 2 > C23H26N4O3 > 406.478 > 406.20049 > 0 > COC1=CC=C(C=C1)C[C@@H]2CCC3=CN=NN3COC[C@@H](NC2=O)C4=CC=CC=C4 > InChI=1S/C23H26N4O3/c1-29-21-11-7-17(8-12-21)13-19-9-10-20-14-24-26-27(20)16-30-15-22(25-23(19)28)18-5-3-2-4-6-18/h2-8,11-12,14,19,22H,9-10,13,15-16H2,1H3,(H,25,28)/t19-,22+/m0/s1 > RPEPJDZJYGGDNL-SIKLNZKXSA-N > LSM-40852 $$$$