2-[[[2-carboxy-3-oxidanyl-3-oxidanylidene-2-(phenylmethyl)propyl]amino]methyl]-2-(phenylmethyl)propanedioic acid

Systemtic Name: 2-[[[2-carboxy-3-oxidanyl-3-oxidanylidene-2-(phenylmethyl)propyl]amino]methyl]-2-(phenylmethyl)propanedioic acid Openeye Name: 2-benzyl-2-[[(2-benzyl-2-carboxy-3-hydroxy-3-oxo-propyl)amino]methyl]propanedioic acid CAS Name: 2-[[[2-carboxy-3-hydroxy-3-oxo-2-(phenylmethyl)propyl]amino]methyl]-2-(phenylmethyl)propanedioic acid IUPAC Name: 2-benzyl-2-[[(2-benzyl-2-carboxy-3-hydroxy-3-oxopropyl)amino]methyl]propanedioic acid Traditional Name: 2-benzyl-2-[[(2-benzyl-2-carboxy-3-hydroxy-3-keto-propyl)amino]methyl]malonic acid Formula: C22H23NO8 MolecularWeight: 429.41992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO8/c24-17(25)21(18(26)27,11-15-7-3-1-4-8-15)13-23-14-22(19(28)29,20(30)31)12-16-9-5-2-6-10-16/h1-10,23H,11-14H2,(H,24,25)(H,26,27)(H,28,29)(H,30,31)