(5S,8R)-8-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one

Properties Image MNX_ID MNXM172815 reference chebi:129360 formula C21H30N4O3 global charge 0 mol weight 386.496 InChIKey ICBLCJRQBGPVQK-MSOLQXFVSA-N InChI InChI=1S/C21H30N4O3/c1-15(2)10-18-13-28-14-25-19(12-22-24-25)7-6-17(21(26)23-18)11-16-4-8-20(27-3)9-5-16/h4-5,8-9,12,15,17-18H,6-7,10-11,13-14H2,1-3H3,(H,23,26)/t17-,18+/m1/s1 SMILES COC1=CC=C(C[C@H]2CCC3=CN=NN3COC[C@H](CC(C)C)NC2=O)C=C1 MNX internals InChI (mnx) InChI=1/C21H30N4O3/c1-15(2)10-18-13-28-14-25-19(12-22-24-25)7-6-17(21(26)23-18)11-16-4-8-20(27-3)9-5-16/h4-5,8-9,12,15,17-18H,6-7,10-11,13-14H2,1-3H3,(H,23,26)/t17-,18+/m1/s1 SMILES (mnx) [CH3:1][CH:15]([CH3:2])[CH2:10][C@H:18]1[CH2:13][O:28][CH2:14][N:25]2[C:19](=[CH:12][N:22]=[N:24]2)[CH2:7][CH2:6][C@H:17]([CH2:11][C:16]2=[CH:5][CH:9]=[C:20]([O:27][CH3:3])[CH:8]=[CH:4]2)[C:21]([OH:26])=[N:23]1

Parent-child relations graph

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