(N,N'-dicyclohexylcarbamimidoyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: (N,N'-dicyclohexylcarbamimidoyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: (N,N'-dicyclohexylcarbamimidoyl) (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid [(cyclohexylamino)-cyclohexyliminomethyl] ester IUPAC Name: (N,N'-dicyclohexylcarbamimidoyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid (N,N'-dicyclohexylamidino) ester Formula: C27H41N3O4 MolecularWeight: 471.63214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OC(=NC2CCCCC2)NC3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC(=NC2CCCCC2)NC3CCCCC3

InChI

InChI=1S/C27H41N3O4/c1-27(2,3)34-26(32)30-23(19-20-13-7-4-8-14-20)24(31)33-25(28-21-15-9-5-10-16-21)29-22-17-11-6-12-18-22/h4,7-8,13-14,21-23H,5-6,9-12,15-19H2,1-3H3,(H,28,29)(H,30,32)/t23-/m0/s1