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

Properties Image MNX_ID MNXM339231 reference chebi:125917 formula C21H34N4O4 global charge 0 mol weight 406.527 InChIKey KULYSGMCKHFPFK-DOXZYTNZSA-N InChI InChI=1S/C21H34N4O4/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(29-18)11-24(5)6/h7-9,13-15,19,26H,10-12H2,1-6H3,(H2,22,23,28)/t14-,15-,19-/m0/s1 SMILES CC(C)NC(=O)NC1=CC2=C(C=C1)O[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C21H34N4O4/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(29-18)11-24(5)6/h7-9,13-15,19,26H,10-12H2,1-6H3,(H2,22,23,28)/t14-,15-,19-/m0/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:29][C@@H:19]([CH2:11][N:24]([CH3:5])[CH3:6])[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