1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea

Properties Image MNX_ID MNXM339536 reference chebi:111547 formula C22H36N4O6S global charge 0 mol weight 484.619 InChIKey IDOMJCFPTXQKSJ-GQIGUUNPSA-N InChI InChI=1S/C22H36N4O6S/c1-14(2)23-22(29)24-18-7-8-19-17(9-18)10-21(28)26(16(4)13-27)11-15(3)20(32-19)12-25(5)33(6,30)31/h7-9,14-16,20,27H,10-13H2,1-6H3,(H2,23,24,29)/t15-,16+,20-/m1/s1 SMILES CC(C)NC(=O)NC1=CC2=C(C=C1)O[C@H](CN(C)S(C)(=O)=O)[C@H](C)CN([C@@H](C)CO)C(=O)C2 MNX internals InChI (mnx) InChI=1/C22H36N4O6S/c1-14(2)23-22(29)24-18-7-8-19-17(9-18)10-21(28)26(16(4)13-27)11-15(3)20(32-19)12-25(5)33(6,30)31/h7-9,14-16,20,27H,10-13H2,1-6H3,(H2,23,24,29)/t15-,16+,20-/m1/s1 SMILES (mnx) [CH3:1][CH:14]([CH3:2])[N:23]=[C:22]([NH:24][C:18]1=[CH:9][C:17]2=[C:19]([CH:8]=[CH:7]1)[O:32][C@H:20]([CH2:12][N:25]([CH3:5])[S:33]([CH3:6])(=[O:30])=[O:31])[C@H:15]([CH3:3])[CH2:11][N:26]([C@@H:16]([CH3:4])[CH2:13][OH:27])[C:21](=[O:28])[CH2:10]2)[OH:29]

Parent-child relations graph

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