methyl (2S)-3-[2-cyanoethoxy-[(1R)-1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethoxy]phosphoryl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-[2-cyanoethoxy-[(1R)-1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethoxy]phosphoryl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[2-cyanoethoxy-[(1R)-1-(3,5-dimethoxyphenyl)-2-oxo-2-phenyl-ethoxy]phosphoryl]oxy-propanoate CAS Name: (2S)-3-[2-cyanoethoxy-[(1R)-1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethoxy]phosphoryl]oxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[2-cyanoethoxy-[(1R)-1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethoxy]phosphoryl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[2-cyanoethoxy-[(1R)-1-(3,5-dimethoxyphenyl)-2-keto-2-phenyl-ethoxy]phosphoryl]oxy-propionic acid methyl ester Formula: C28H35N2O11P MolecularWeight: 606.558061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COP(=O)(OCCC#N)OC(C1=CC(=CC(=C1)OC)OC)C(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](COP(=O)(OCCC#N)O[C@H](C1=CC(=CC(=C1)OC)OC)C(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C28H35N2O11P/c1-28(2,3)40-27(33)30-23(26(32)37-6)18-39-42(34,38-14-10-13-29)41-25(24(31)19-11-8-7-9-12-19)20-15-21(35-4)17-22(16-20)36-5/h7-9,11-12,15-17,23,25H,10,14,18H2,1-6H3,(H,30,33)/t23-,25+,42?/m0/s1