2-(phenylmethoxycarbonylamino)-2-(pyrimidin-5-ylmethyl)propanedioic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-2-(pyrimidin-5-ylmethyl)propanedioic acid Openeye Name: 2-(benzyloxycarbonylamino)-2-(pyrimidin-5-ylmethyl)propanedioic acid CAS Name: 2-(phenylmethoxycarbonylamino)-2-(5-pyrimidinylmethyl)propanedioic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-2-(pyrimidin-5-ylmethyl)propanedioic acid Traditional Name: 2-(benzyloxycarbonylamino)-2-(5-pyrimidylmethyl)malonic acid Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CN=CN=C2)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CN=CN=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C16H15N3O6/c20-13(21)16(14(22)23,6-12-7-17-10-18-8-12)19-15(24)25-9-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,19,24)(H,20,21)(H,22,23)