Balapiravir (USAN/INN)

Properties Image MNX_ID MNXM43282 reference keggD:D09582 formula C21H30N6O8 global charge 0 mol weight 494.505 InChIKey VKXWOLCNTHXCLF-DXEZIKHYSA-N InChI InChI=1S/C21H30N6O8/c1-10(2)17(28)32-9-21(25-26-23)15(34-19(30)12(5)6)14(33-18(29)11(3)4)16(35-21)27-8-7-13(22)24-20(27)31/h7-8,10-12,14-16H,9H2,1-6H3,(H2,22,24,31)/t14-,15+,16-,21-/m1/s1 SMILES CC(C)C(=O)OC[C@@]1(N=[N+]=[N-])O[C@@H](N2C=CC(N)=NC2=O)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C MNX internals InChI (mnx) InChI=1/C21H30N6O8/c1-10(2)17(28)32-9-21(25-26-23)15(34-19(30)12(5)6)14(33-18(29)11(3)4)16(35-21)27-8-7-13(22)24-20(27)31/h7-8,10-12,14-16H,9H2,1-6H3,(H2,22,24,31)/t14-,15+,16-,21-/m1/s1 SMILES (mnx) [CH3:1][CH:10]([CH3:2])[C:17](=[O:28])[O:32][CH2:9][C@:21]1([N:25]=[N+:26]=[N-:23])[C@@H:15]([O:34][C:19]([CH:12]([CH3:5])[CH3:6])=[O:30])[C@@H:14]([O:33][C:18]([CH:11]([CH3:3])[CH3:4])=[O:29])[C@H:16]([N:27]2[CH:8]=[CH:7][C:13](=[NH:22])[N:24]=[C:20]2[OH:31])[O:35]1

Parent-child relations graph

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