[(1R)-2-(3-carboxyphenyl)-1-(2-phenylethanoylamino)ethyl]aluminum dihydrate

Systemtic Name: [(1R)-2-(3-carboxyphenyl)-1-(2-phenylethanoylamino)ethyl]aluminum dihydrate Openeye Name: [(1R)-2-(3-carboxyphenyl)-1-[(2-phenylacetyl)amino]ethyl]aluminum dihydrate CAS Name: [(1R)-2-(3-carboxyphenyl)-1-[(1-oxo-2-phenylethyl)amino]ethyl]aluminum dihydrate IUPAC Name: [(1R)-2-(3-carboxyphenyl)-1-[(2-phenylacetyl)amino]ethyl]aluminum dihydrate Traditional Name: [(1R)-2-(3-carboxyphenyl)-1-[(2-phenylacetyl)amino]ethyl]aluminum dihydrate Formula: C17H20AlNO5 MolecularWeight: 345.325938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(CC2=CC=CC(=C2)C(=O)O)[Al].O.O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N[C@@H](CC2=CC=CC(=C2)C(=O)O)[Al].O.O

InChI

InChI=1S/C17H16NO3.Al.2H2O/c19-16(12-13-5-2-1-3-6-13)18-10-9-14-7-4-8-15(11-14)17(20)21;;;/h1-8,10-11H,9,12H2,(H,18,19)(H,20,21);;2*1H2