1-[(5S,6R,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-propan-2-ylurea

Properties Image MNX_ID MNXM340616 reference chebi:115904 formula C21H34N4O4 global charge 0 mol weight 406.527 InChIKey BCEADABJMKBPCA-ZRGWGRIASA-N InChI InChI=1S/C21H34N4O4/c1-13(2)23-21(27)24-16-7-8-17-18(9-16)29-12-15(4)22-10-14(3)19(28-6)11-25(5)20(17)26/h7-9,13-15,19,22H,10-12H2,1-6H3,(H2,23,24,27)/t14-,15+,19-/m1/s1 SMILES CO[C@@H]1CN(C)C(=O)C2=C(C=C(NC(=O)NC(C)C)C=C2)OC[C@H](C)NC[C@H]1C MNX internals InChI (mnx) InChI=1/C21H34N4O4/c1-13(2)23-21(27)24-16-7-8-17-18(9-16)29-12-15(4)22-10-14(3)19(28-6)11-25(5)20(17)26/h7-9,13-15,19,22H,10-12H2,1-6H3,(H2,23,24,27)/t14-,15+,19-/m1/s1 SMILES (mnx) [CH3:1][CH:13]([CH3:2])[N:23]=[C:21]([NH:24][C:16]1=[CH:9][C:18]2=[C:17]([CH:8]=[CH:7]1)[C:20](=[O:26])[N:25]([CH3:5])[CH2:11][C@@H:19]([O:28][CH3:6])[C@H:14]([CH3:3])[CH2:10][NH:22][C@@H:15]([CH3:4])[CH2:12][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