2-azanyl-3-phenyl-propanoic acid; 2-[2-(phenethylamino)ethanoyloxy]propanoic acid

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; 2-[2-(phenethylamino)ethanoyloxy]propanoic acid Openeye Name: 2-amino-3-phenyl-propanoic acid; 2-[2-(phenethylamino)acetyl]oxypropanoic acid CAS Name: 2-amino-3-phenylpropanoic acid; 2-[1-oxo-2-(phenethylamino)ethoxy]propanoic acid IUPAC Name: 2-amino-3-phenylpropanoic acid; 2-[2-(phenethylamino)acetyl]oxypropanoic acid Traditional Name: 2-amino-3-phenyl-propionic acid; 2-[2-(phenethylamino)acetyl]oxypropionic acid Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC(=O)CNCCC1=CC=CC=C1.C1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

CC(C(=O)O)OC(=O)CNCCC1=CC=CC=C1.C1=CC=C(C=C1)CC(C(=O)O)N

InChI

InChI=1S/C13H17NO4.C9H11NO2/c1-10(13(16)17)18-12(15)9-14-8-7-11-5-3-2-4-6-11;10-8(9(11)12)6-7-4-2-1-3-5-7/h2-6,10,14H,7-9H2,1H3,(H,16,17);1-5,8H,6,10H2,(H,11,12)