(R)-blebbistatin

Properties Image MNX_ID MNXM149590 reference chebi:75387 formula C18H16N2O2 global charge 0 mol weight 292.338 InChIKey LZAXPYOBKSJSEX-SFHVURJKSA-N InChI InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m0/s1 SMILES CC1=CC=C2N=C3N(C4=CC=CC=C4)CC[C@]3(O)C(=O)C2=C1 MNX internals InChI (mnx) InChI=1/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m0/s1 SMILES (mnx) [CH3:1][C:12]1=[CH:11][C:14]2=[C:15]([CH:8]=[CH:7]1)[N:19]=[C:17]1[C@:18]([OH:22])([CH2:9][CH2:10][N:20]1[C:13]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:16]2=[O:21]

Parent-child relations graph

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