1-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea

Properties Image MNX_ID MNXM340597 reference chebi:115948 formula C21H34N4O4 global charge 0 mol weight 406.527 InChIKey AQVJCVRFMZPTMV-DOXZYTNZSA-N InChI InChI=1S/C21H34N4O4/c1-6-9-22-21(27)24-16-7-8-17-18(10-16)29-13-15(3)23-11-14(2)19(28-5)12-25(4)20(17)26/h7-8,10,14-15,19,23H,6,9,11-13H2,1-5H3,(H2,22,24,27)/t14-,15-,19-/m0/s1 SMILES CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@@H](C)CO2 MNX internals InChI (mnx) InChI=1/C21H34N4O4/c1-6-9-22-21(27)24-16-7-8-17-18(10-16)29-13-15(3)23-11-14(2)19(28-5)12-25(4)20(17)26/h7-8,10,14-15,19,23H,6,9,11-13H2,1-5H3,(H2,22,24,27)/t14-,15-,19-/m0/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:9][N:22]=[C:21]([NH:24][C:16]1=[CH:10][C:18]2=[C:17]([CH:8]=[CH:7]1)[C:20](=[O:26])[N:25]([CH3:4])[CH2:12][C@H:19]([O:28][CH3:5])[C@@H:14]([CH3:2])[CH2:11][NH:23][C@@H:15]([CH3:3])[CH2:13][O:29]2)[OH:27]

Parent-child relations graph

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