1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea

Properties Image MNX_ID MNXM339516 reference chebi:128447 formula C21H34N4O6S global charge 0 mol weight 470.592 InChIKey IGDQWSJWXZKUIQ-SPYBWZPUSA-N InChI InChI=1S/C21H34N4O6S/c1-13(2)22-21(28)23-16-7-8-18-17(9-16)20(27)25(15(4)12-26)10-14(3)19(31-18)11-24(5)32(6,29)30/h7-9,13-15,19,26H,10-12H2,1-6H3,(H2,22,23,28)/t14-,15-,19-/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)C2=O MNX internals InChI (mnx) InChI=1/C21H34N4O6S/c1-13(2)22-21(28)23-16-7-8-18-17(9-16)20(27)25(15(4)12-26)10-14(3)19(31-18)11-24(5)32(6,29)30/h7-9,13-15,19,26H,10-12H2,1-6H3,(H2,22,23,28)/t14-,15-,19-/m1/s1 SMILES (mnx) [CH3:1][CH:13]([CH3:2])[N:22]=[C:21]([NH:23][C:16]1=[CH:9][C:17]2=[C:18]([CH:8]=[CH:7]1)[O:31][C@H:19]([CH2:11][N:24]([CH3:5])[S:32]([CH3:6])(=[O:29])=[O:30])[C@H:14]([CH3:3])[CH2:10][N:25]([C@H:15]([CH3:4])[CH2:12][OH:26])[C:20]2=[O:27])[OH:28]

Parent-child relations graph

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