1-[[(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

Properties Image MNX_ID MNXM341346 reference chebi:108817 formula C22H36N4O4 global charge 0 mol weight 420.554 InChIKey XZXNUYDCQDAXAA-GPMSIDNRSA-N InChI InChI=1S/C22H36N4O4/c1-14(2)23-22(29)25(7)12-19-15(3)11-26(16(4)13-27)21(28)17-9-8-10-18(24(5)6)20(17)30-19/h8-10,14-16,19,27H,11-13H2,1-7H3,(H,23,29)/t15-,16-,19-/m1/s1 SMILES CC(C)NC(=O)N(C)C[C@H]1OC2=C(C=CC=C2N(C)C)C(=O)N([C@H](C)CO)C[C@H]1C MNX internals InChI (mnx) InChI=1/C22H36N4O4/c1-14(2)23-22(29)25(7)12-19-15(3)11-26(16(4)13-27)21(28)17-9-8-10-18(24(5)6)20(17)30-19/h8-10,14-16,19,27H,11-13H2,1-7H3,(H,23,29)/t15-,16-,19-/m1/s1 SMILES (mnx) [CH3:1][CH:14]([CH3:2])[N:23]=[C:22]([N:25]([CH3:7])[CH2:12][C@@H:19]1[C@H:15]([CH3:3])[CH2:11][N:26]([C@H:16]([CH3:4])[CH2:13][OH:27])[C:21](=[O:28])[C:17]2=[C:20]([C:18]([N:24]([CH3:5])[CH3:6])=[CH:10][CH:8]=[CH:9]2)[O:30]1)[OH:29]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0