dimethyl-[(2S)-2-[2-[(4-phenoxyphenyl)carbonylamino]ethanoylamino]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-[2-[(4-phenoxyphenyl)carbonylamino]ethanoylamino]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2S)-2-[[2-[(4-phenoxybenzoyl)amino]acetyl]amino]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[1-oxo-2-[[oxo-(4-phenoxyphenyl)methyl]amino]ethyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[[2-[(4-phenoxybenzoyl)amino]acetyl]amino]-2-phenylethyl]azanium Traditional Name: dimethyl-[(2S)-2-[[2-[(4-phenoxybenzoyl)amino]acetyl]amino]-2-phenyl-ethyl]ammonium Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O3/c1-28(2)18-23(19-9-5-3-6-10-19)27-24(29)17-26-25(30)20-13-15-22(16-14-20)31-21-11-7-4-8-12-21/h3-16,23H,17-18H2,1-2H3,(H,26,30)(H,27,29)/p+1/t23-/m1/s1