1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea

Properties Image MNX_ID MNXM340514 reference chebi:104457 formula C21H34N4O4 global charge 0 mol weight 406.527 InChIKey PXLHMJKVTIIEQJ-YZVOILCLSA-N InChI InChI=1S/C21H34N4O4/c1-13(2)23-21(27)24-16-7-8-18-17(9-16)20(26)25(5)11-19(28-6)14(3)10-22-15(4)12-29-18/h7-9,13-15,19,22H,10-12H2,1-6H3,(H2,23,24,27)/t14-,15-,19+/m0/s1 SMILES CO[C@@H]1CN(C)C(=O)C2=C(C=CC(NC(=O)NC(C)C)=C2)OC[C@H](C)NC[C@@H]1C MNX internals InChI (mnx) InChI=1/C21H34N4O4/c1-13(2)23-21(27)24-16-7-8-18-17(9-16)20(26)25(5)11-19(28-6)14(3)10-22-15(4)12-29-18/h7-9,13-15,19,22H,10-12H2,1-6H3,(H2,23,24,27)/t14-,15-,19+/m0/s1 SMILES (mnx) [CH3:1][CH:13]([CH3:2])[N:23]=[C:21]([NH:24][C:16]1=[CH:9][C:17]2=[C:18]([CH:8]=[CH:7]1)[O:29][CH2:12][C@H:15]([CH3:4])[NH:22][CH2:10][C@H:14]([CH3:3])[C@H:19]([O:28][CH3:6])[CH2:11][N:25]([CH3:5])[C:20]2=[O:26])[OH:27]

Parent-child relations graph

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