(phenylmethyl) 3-(N,N'-dicyclohexylcarbamimidoyl)oxy-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) 3-(N,N'-dicyclohexylcarbamimidoyl)oxy-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-3-(N,N'-dicyclohexylcarbamimidoyl)oxy-propanoate CAS Name: 3-[(cyclohexylamino)-cyclohexyliminomethoxy]-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(N,N'-dicyclohexylcarbamimidoyl)oxy-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(N,N'-dicyclohexylamidino)oxy-propionic acid benzyl ester Formula: C31H41N3O5 MolecularWeight: 535.67434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=NC2CCCCC2)OCC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=NC2CCCCC2)OCC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H41N3O5/c35-29(37-21-24-13-5-1-6-14-24)28(34-31(36)39-22-25-15-7-2-8-16-25)23-38-30(32-26-17-9-3-10-18-26)33-27-19-11-4-12-20-27/h1-2,5-8,13-16,26-28H,3-4,9-12,17-23H2,(H,32,33)(H,34,36)