benzyl cetraxate

Properties Image MNX_ID MNXM4480 reference chebi:57790 formula C24H30NO4 global charge 1 mol weight 396.507 InChIKey LPWHBGUXJFSETQ-XUTJKUGGSA-O InChI InChI=1S/C24H29NO4/c25-16-19-6-11-21(12-7-19)24(27)29-22-13-8-18(9-14-22)10-15-23(26)28-17-20-4-2-1-3-5-20/h1-5,8-9,13-14,19,21H,6-7,10-12,15-17,25H2/p+1/t19-,21- SMILES [NH3+]C[C@H]1CC[C@H](C(=O)OC2=CC=C(CCC(=O)OCC3=CC=CC=C3)C=C2)CC1 MNX internals InChI (mnx) InChI=1/C24H29NO4/c25-16-19-6-11-21(12-7-19)24(27)29-22-13-8-18(9-14-22)10-15-23(26)28-17-20-4-2-1-3-5-20/h1-5,8-9,13-14,19,21H,6-7,10-12,15-17,25H2/t19-,21- SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:20]([CH2:17][O:28][C:23]([CH2:15][CH2:10][C:18]2=[CH:9][CH:14]=[C:22]([O:29][C:24]([C@H:21]3[CH2:11][CH2:6][C@H:19]([CH2:16][NH2:25])[CH2:7][CH2:12]3)=[O:27])[CH:13]=[CH:8]2)=[O:26])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0