tert-butyl 3-cyano-3-phenyl-3-[propan-2-yloxycarbonyl-(propan-2-yloxycarbonylamino)amino]propanoate

Systemtic Name: tert-butyl 3-cyano-3-phenyl-3-[propan-2-yloxycarbonyl-(propan-2-yloxycarbonylamino)amino]propanoate Openeye Name: tert-butyl 3-cyano-3-[isopropoxycarbonyl-(isopropoxycarbonylamino)amino]-3-phenyl-propanoate CAS Name: 3-cyano-3-[[oxo(propan-2-yloxy)methyl]-[[oxo(propan-2-yloxy)methyl]amino]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-3-phenyl-3-[propan-2-yloxycarbonyl-(propan-2-yloxycarbonylamino)amino]propanoate Traditional Name: 3-cyano-3-[isopropoxycarbonyl-(isopropoxycarbonylamino)amino]-3-phenyl-propionic acid tert-butyl ester Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NN(C(=O)OC(C)C)C(CC(=O)OC(C)(C)C)(C#N)C1=CC=CC=C1

Isomeric SMILES

CC(C)OC(=O)NN(C(=O)OC(C)C)C(CC(=O)OC(C)(C)C)(C#N)C1=CC=CC=C1

InChI

InChI=1S/C22H31N3O6/c1-15(2)29-19(27)24-25(20(28)30-16(3)4)22(14-23,17-11-9-8-10-12-17)13-18(26)31-21(5,6)7/h8-12,15-16H,13H2,1-7H3,(H,24,27)