null CDK 0224162203 null 44 48 0 0 0 0 0 0 0 0999 V2000 14.1467 -1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3845 -1.8810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3845 -2.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8012 -3.2893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9762 -3.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6604 -4.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3928 -2.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3928 -1.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6783 -1.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9639 -1.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9639 -2.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6783 -3.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6783 -0.6435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9639 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2494 -0.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9639 0.5940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2494 1.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5349 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8204 1.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8204 1.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5349 2.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2494 1.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0358 2.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5509 1.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0358 0.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9762 -1.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8012 -1.2976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1169 -0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9348 -0.4277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4370 -1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2505 0.3345 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4883 0.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5662 1.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0127 0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6672 0.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4294 0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5371 -0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8826 -1.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1204 -0.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2993 -0.9284 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.1169 -4.0515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6146 -4.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9348 -4.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2505 -4.9214 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 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 19 1 0 0 0 0 8 26 1 0 0 0 0 26 27 1 0 0 0 0 27 2 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 4 41 1 0 0 0 0 41 42 1 6 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 M END > CHEBI:94924 > 1-(1,3-benzodioxol-5-yl)-3-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea > 2 > C30H33FN4O8S > 628.671 > 628.20031 > 0 > C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)O[C@H]1CN(C)S(=O)(=O)C5=CC=C(C=C5)F)[C@@H](C)CO > InChI=1S/C30H33FN4O8S/c1-18-14-35(19(2)16-36)29(37)23-5-4-6-24(33-30(38)32-21-9-12-25-26(13-21)42-17-41-25)28(23)43-27(18)15-34(3)44(39,40)22-10-7-20(31)8-11-22/h4-13,18-19,27,36H,14-17H2,1-3H3,(H2,32,33,38)/t18-,19-,27-/m0/s1 > VHKVVFSFBAQREB-BATDWUPUSA-N > LSM-6143 $$$$