null CDK 0224162258 null 35 38 0 0 0 0 0 0 0 0999 V2000 3.5604 3.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8761 3.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3739 2.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6896 1.6157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1874 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3694 1.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 0.1990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9114 -0.3844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9114 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 -1.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 -1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9197 -1.2094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9197 -0.3844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2053 0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 -1.2094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2053 -1.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 -1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 -2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 -2.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -2.8594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -3.6844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7293 -4.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4743 -4.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 -4.9539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6056 -4.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8356 -5.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6561 -5.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -6.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9615 -6.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -5.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8121 -4.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 -4.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6736 -0.0687 0.0000 O 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 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 1 0 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 7 1 0 0 0 0 14 15 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 17 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 23 1 0 0 0 0 26 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 9 35 1 1 0 0 0 M END > CHEBI:98596 > (3R,6aR,8R,10aR)-8-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-hydroxy-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide > 2 > C26H40N4O5 > 488.621 > 488.29987 > 0 > CCCNC(=O)N1C[C@H](COC[C@H]2[C@H]1CC[C@@H](O2)CC(=O)N[C@H]3CCN(C3)CC4=CC=CC=C4)O > InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21+,22+,23+,24-/m0/s1 > WWAGOAOIMIOBRQ-LSDVVMKASA-N > LSM-9975 $$$$