2-[(4-carboxy-2-oxidanyl-phenyl)methyl]-2-(2-phenylethanoylamino)propanedioic acid

Systemtic Name: 2-[(4-carboxy-2-oxidanyl-phenyl)methyl]-2-(2-phenylethanoylamino)propanedioic acid Openeye Name: 2-[(4-carboxy-2-hydroxy-phenyl)methyl]-2-[(2-phenylacetyl)amino]propanedioic acid CAS Name: 2-[(4-carboxy-2-hydroxyphenyl)methyl]-2-[(1-oxo-2-phenylethyl)amino]propanedioic acid IUPAC Name: 2-[(4-carboxy-2-hydroxyphenyl)methyl]-2-[(2-phenylacetyl)amino]propanedioic acid Traditional Name: 2-(4-carboxy-2-hydroxy-benzyl)-2-[(2-phenylacetyl)amino]malonic acid Formula: C19H17NO8 MolecularWeight: 387.34018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO8/c21-14-9-12(16(23)24)6-7-13(14)10-19(17(25)26,18(27)28)20-15(22)8-11-4-2-1-3-5-11/h1-7,9,21H,8,10H2,(H,20,22)(H,23,24)(H,25,26)(H,27,28)