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

Properties Image MNX_ID MNXM339124 reference chebi:113855 formula C21H34N4O6S global charge 0 mol weight 470.592 InChIKey JMXMRSKNTVHTGA-RKVPGOIHSA-N InChI InChI=1S/C21H34N4O6S/c1-13(2)22-21(28)23-17-9-7-8-16-19(17)31-18(11-24(5)32(6,29)30)14(3)10-25(20(16)27)15(4)12-26/h7-9,13-15,18,26H,10-12H2,1-6H3,(H2,22,23,28)/t14-,15-,18+/m1/s1 SMILES CC(C)NC(=O)NC1=CC=CC2=C1O[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)23-17-9-7-8-16-19(17)31-18(11-24(5)32(6,29)30)14(3)10-25(20(16)27)15(4)12-26/h7-9,13-15,18,26H,10-12H2,1-6H3,(H2,22,23,28)/t14-,15-,18+/m1/s1 SMILES (mnx) [CH3:1][CH:13]([CH3:2])[N:22]=[C:21]([NH:23][C:17]1=[CH:9][CH:7]=[CH:8][C:16]2=[C:19]1[O:31][C@@H:18]([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