1-[[(2S,3R)-8-(dimethylamino)-5-[(2S)-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 MNXM341408 reference chebi:113835 formula C22H36N4O4 global charge 0 mol weight 420.554 InChIKey GIKJWVQVMSIYNX-GQIGUUNPSA-N InChI InChI=1S/C22H36N4O4/c1-14(2)23-22(29)25(7)12-20-15(3)11-26(16(4)13-27)21(28)18-10-17(24(5)6)8-9-19(18)30-20/h8-10,14-16,20,27H,11-13H2,1-7H3,(H,23,29)/t15-,16+,20-/m1/s1 SMILES CC(C)NC(=O)N(C)C[C@H]1OC2=C(C=C(N(C)C)C=C2)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)12-20-15(3)11-26(16(4)13-27)21(28)18-10-17(24(5)6)8-9-19(18)30-20/h8-10,14-16,20,27H,11-13H2,1-7H3,(H,23,29)/t15-,16+,20-/m1/s1 SMILES (mnx) [CH3:1][CH:14]([CH3:2])[N:23]=[C:22]([N:25]([CH3:7])[CH2:12][C@@H:20]1[C@H:15]([CH3:3])[CH2:11][N:26]([C@@H:16]([CH3:4])[CH2:13][OH:27])[C:21](=[O:28])[C:18]2=[C:19]([CH:9]=[CH:8][C:17]([N:24]([CH3:5])[CH3:6])=[CH:10]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