Zalunfiban (USAN)

Properties Image MNX_ID MNXM1130252 reference keggD:D12051 formula C16H18N8O2S global charge 0 mol weight 386.441 InChIKey LTVKZVGAALCRFW-UHFFFAOYSA-N InChI InChI=1S/C16H18N8O2S/c17-7-13(25)20-11-5-10(8-19-9-11)15-22-24-14(26)6-12(21-16(24)27-15)23-3-1-18-2-4-23/h5-6,8-9,18H,1-4,7,17H2,(H,20,25) SMILES NCC(=O)NC1=CC(C2=NN3C(=O)C=C(N4CCNCC4)N=C3S2)=CN=C1 MNX internals InChI (mnx) InChI=1/C16H18N8O2S/c17-7-13(25)20-11-5-10(8-19-9-11)15-22-24-14(26)6-12(21-16(24)27-15)23-3-1-18-2-4-23/h5-6,8-9,18H,1-4,7,17H2,(H,20,25) SMILES (mnx) [CH2:1]1[CH2:3][N:23]([C:12]2=[CH:6][C:14](=[O:26])[N:24]3[C:16](=[N:21]2)[S:27][C:15]([C:10]2=[CH:5][C:11]([N:20]=[C:13]([CH2:7][NH2:17])[OH:25])=[CH:9][N:19]=[CH:8]2)=[N:22]3)[CH2:4][CH2:2][NH:18]1

Parent-child relations graph

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