1-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-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 MNXM340534 reference chebi:95449 formula C22H36N4O4 global charge 0 mol weight 420.554 InChIKey AADVJQLQUVDEBP-QINHECLXSA-N InChI InChI=1S/C22H36N4O4/c1-14(2)23-22(28)24-17-8-9-18-19(10-17)30-13-16(4)25(5)11-15(3)20(29-7)12-26(6)21(18)27/h8-10,14-16,20H,11-13H2,1-7H3,(H2,23,24,28)/t15-,16-,20+/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)N(C)C[C@H]1C MNX internals InChI (mnx) InChI=1/C22H36N4O4/c1-14(2)23-22(28)24-17-8-9-18-19(10-17)30-13-16(4)25(5)11-15(3)20(29-7)12-26(6)21(18)27/h8-10,14-16,20H,11-13H2,1-7H3,(H2,23,24,28)/t15-,16-,20+/m1/s1 SMILES (mnx) [CH3:1][CH:14]([CH3:2])[N:23]=[C:22]([NH:24][C:17]1=[CH:10][C:19]2=[C:18]([CH:9]=[CH:8]1)[C:21](=[O:27])[N:26]([CH3:6])[CH2:12][C@H:20]([O:29][CH3:7])[C@H:15]([CH3:3])[CH2:11][N:25]([CH3:5])[C@H:16]([CH3:4])[CH2:13][O:30]2)[OH:28]

Parent-child relations graph

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