2-azanyl-2-(2-methyl-4-oxidanylidene-6-phenyl-hexan-3-yl)propanedioic acid

Systemtic Name: 2-azanyl-2-(2-methyl-4-oxidanylidene-6-phenyl-hexan-3-yl)propanedioic acid Openeye Name: 2-amino-2-(1-isopropyl-2-oxo-4-phenyl-butyl)propanedioic acid CAS Name: 2-amino-2-(2-methyl-4-oxo-6-phenylhexan-3-yl)propanedioic acid IUPAC Name: 2-amino-2-(2-methyl-4-oxo-6-phenylhexan-3-yl)propanedioic acid Traditional Name: 2-amino-2-(1-isopropyl-2-keto-4-phenyl-butyl)malonic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)CCC1=CC=CC=C1)C(C(=O)O)(C(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)CCC1=CC=CC=C1)C(C(=O)O)(C(=O)O)N

InChI

InChI=1S/C16H21NO5/c1-10(2)13(16(17,14(19)20)15(21)22)12(18)9-8-11-6-4-3-5-7-11/h3-7,10,13H,8-9,17H2,1-2H3,(H,19,20)(H,21,22)