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

Properties Image MNX_ID MNXM172638 reference chebi:127711 formula C20H28N4O3 global charge 0 mol weight 372.469 InChIKey BUJNRAADAGIHRJ-VQIMIIECSA-N InChI InChI=1S/C20H28N4O3/c1-14(2)19-13-27-12-17-11-24(23-22-17)9-8-16(20(25)21-19)10-15-4-6-18(26-3)7-5-15/h4-7,11,14,16,19H,8-10,12-13H2,1-3H3,(H,21,25)/t16-,19-/m1/s1 SMILES COC1=CC=C(C[C@H]2CCN3C=C(COC[C@H](C(C)C)NC2=O)N=N3)C=C1 MNX internals InChI (mnx) InChI=1/C20H28N4O3/c1-14(2)19-13-27-12-17-11-24(23-22-17)9-8-16(20(25)21-19)10-15-4-6-18(26-3)7-5-15/h4-7,11,14,16,19H,8-10,12-13H2,1-3H3,(H,21,25)/t16-,19-/m1/s1 SMILES (mnx) [CH3:1][CH:14]([CH3:2])[C@H:19]1[CH2:13][O:27][CH2:12][C:17]2=[CH:11][N:24]([CH2:9][CH2:8][C@H:16]([CH2:10][C:15]3=[CH:5][CH:7]=[C:18]([O:26][CH3:3])[CH:6]=[CH:4]3)[C:20]([OH:25])=[N:21]1)[N:23]=[N:22]2

Parent-child relations graph

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