tert-butyl (2S,5S)-2-tert-butyl-5-[[3-(diethoxyphosphorylmethyl)-2-nitro-5-phenyl-phenyl]methyl]-3-methyl-4-oxidanylidene-imidazolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,5S)-2-tert-butyl-5-[[3-(diethoxyphosphorylmethyl)-2-nitro-5-phenyl-phenyl]methyl]-3-methyl-4-oxidanylidene-imidazolidine-1-carboxylate Openeye Name: tert-butyl (2S,5S)-2-tert-butyl-5-[[3-(diethoxyphosphorylmethyl)-2-nitro-5-phenyl-phenyl]methyl]-3-methyl-4-oxo-imidazolidine-1-carboxylate CAS Name: (2S,5S)-2-tert-butyl-5-[[3-(diethoxyphosphorylmethyl)-2-nitro-5-phenylphenyl]methyl]-3-methyl-4-oxo-1-imidazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5S)-2-tert-butyl-5-[[3-(diethoxyphosphorylmethyl)-2-nitro-5-phenylphenyl]methyl]-3-methyl-4-oxoimidazolidine-1-carboxylate Traditional Name: (2S,5S)-2-tert-butyl-5-[3-(diethoxyphosphorylmethyl)-2-nitro-5-phenyl-benzyl]-4-keto-3-methyl-imidazolidine-1-carboxylic acid tert-butyl ester Formula: C31H44N3O8P MolecularWeight: 617.670121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC(=CC(=C1[N+](=O)[O-])CC2C(=O)N(C(N2C(=O)OC(C)(C)C)C(C)(C)C)C)C3=CC=CC=C3)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC(=CC(=C1[N+](=O)[O-])C[C@H]2C(=O)N([C@@H](N2C(=O)OC(C)(C)C)C(C)(C)C)C)C3=CC=CC=C3)OCC

InChI

InChI=1S/C31H44N3O8P/c1-10-40-43(39,41-11-2)20-24-18-22(21-15-13-12-14-16-21)17-23(26(24)34(37)38)19-25-27(35)32(9)28(30(3,4)5)33(25)29(36)42-31(6,7)8/h12-18,25,28H,10-11,19-20H2,1-9H3/t25-,28-/m0/s1