2-[(2-methylpropan-2-yl)oxycarbonyl-[4-(phenylmethoxycarbonylamino)phenyl]amino]ethanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-[4-(phenylmethoxycarbonylamino)phenyl]amino]ethanoic acid Openeye Name: 2-[4-(benzyloxycarbonylamino)-N-tert-butoxycarbonyl-anilino]acetic acid CAS Name: 2-[N-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(phenylmethoxycarbonylamino)anilino]acetic acid IUPAC Name: 2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)anilino]acetic acid Traditional Name: 2-[4-(benzyloxycarbonylamino)-N-tert-butoxycarbonyl-anilino]acetic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC(=O)O)C1=CC=C(C=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N(CC(=O)O)C1=CC=C(C=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O6/c1-21(2,3)29-20(27)23(13-18(24)25)17-11-9-16(10-12-17)22-19(26)28-14-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,22,26)(H,24,25)