(4R,7R)-4-[(4-methoxyphenyl)methyl]-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one

Properties Image MNX_ID MNXM172534 reference chebi:127495 formula C21H30N4O3 global charge 0 mol weight 386.496 InChIKey XBRFMSFVCPUMGC-ZWKOTPCHSA-N InChI InChI=1S/C21H30N4O3/c1-15(2)10-18-13-28-14-19-12-25(24-23-19)9-8-17(21(26)22-18)11-16-4-6-20(27-3)7-5-16/h4-7,12,15,17-18H,8-11,13-14H2,1-3H3,(H,22,26)/t17-,18+/m0/s1 SMILES COC1=CC=C(C[C@@H]2CCN3C=C(COC[C@@H](CC(C)C)NC2=O)N=N3)C=C1 MNX internals InChI (mnx) InChI=1/C21H30N4O3/c1-15(2)10-18-13-28-14-19-12-25(24-23-19)9-8-17(21(26)22-18)11-16-4-6-20(27-3)7-5-16/h4-7,12,15,17-18H,8-11,13-14H2,1-3H3,(H,22,26)/t17-,18+/m0/s1 SMILES (mnx) [CH3:1][CH:15]([CH3:2])[CH2:10][C@@H:18]1[CH2:13][O:28][CH2:14][C:19]2=[CH:12][N:25]([CH2:9][CH2:8][C@@H:17]([CH2:11][C:16]3=[CH:5][CH:7]=[C:20]([O:27][CH3:3])[CH:6]=[CH:4]3)[C:21]([OH:26])=[N:22]1)[N:24]=[N:23]2

Parent-child relations graph

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