ethyl (2S)-2-cyano-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-cyano-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[tert-butoxycarbonyl-(tert-butoxycarbonylamino)amino]-2-cyano-2-phenyl-acetate CAS Name: (2S)-2-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-2-phenylacetate Traditional Name: (2S)-2-[tert-butoxycarbonyl-(tert-butoxycarbonylamino)amino]-2-cyano-2-phenyl-acetic acid ethyl ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)(C1=CC=CC=C1)N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@@](C#N)(C1=CC=CC=C1)N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O6/c1-8-28-16(25)21(14-22,15-12-10-9-11-13-15)24(18(27)30-20(5,6)7)23-17(26)29-19(2,3)4/h9-13H,8H2,1-7H3,(H,23,26)/t21-/m1/s1