diethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)ethanoyl]amino]propanedioate

Systemtic Name: diethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)ethanoyl]amino]propanedioate Openeye Name: diethyl 2-[[2-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)acetyl]amino]propanedioate CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)acetyl]amino]propanedioate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)acetyl]amino]malonic acid diethyl ester Formula: C22H31N3O9 MolecularWeight: 481.49624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)C(NC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)C(NC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H31N3O9/c1-6-31-18(27)15(19(28)32-7-2)23-17(26)16(25-21(30)34-22(3,4)5)24-20(29)33-13-14-11-9-8-10-12-14/h8-12,15-16H,6-7,13H2,1-5H3,(H,23,26)(H,24,29)(H,25,30)