N-(3-cyclohexyl-1-dimethoxyphosphoryl-1-oxidanyl-propan-2-yl)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanamide

Systemtic Name: N-(3-cyclohexyl-1-dimethoxyphosphoryl-1-oxidanyl-propan-2-yl)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanamide Openeye Name: N-[1-(cyclohexylmethyl)-2-dimethoxyphosphoryl-2-hydroxy-ethyl]-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanamide CAS Name: N-(3-cyclohexyl-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl)-3-(1H-imidazol-5-yl)-2-[(1-oxo-3-phenylpropyl)amino]propanamide IUPAC Name: N-(3-cyclohexyl-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanamide Traditional Name: N-[1-(cyclohexylmethyl)-2-dimethoxyphosphoryl-2-hydroxy-ethyl]-2-(hydrocinnamoylamino)-3-(1H-imidazol-5-yl)propionamide Formula: C26H39N4O6P MolecularWeight: 534.584821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(C(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)CCC3=CC=CC=C3)O)OC

Isomeric SMILES

COP(=O)(C(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)CCC3=CC=CC=C3)O)OC

InChI

InChI=1S/C26H39N4O6P/c1-35-37(34,36-2)26(33)23(15-20-11-7-4-8-12-20)30-25(32)22(16-21-17-27-18-28-21)29-24(31)14-13-19-9-5-3-6-10-19/h3,5-6,9-10,17-18,20,22-23,26,33H,4,7-8,11-16H2,1-2H3,(H,27,28)(H,29,31)(H,30,32)