2-azanylpentanedioic acid; 2-[2-(phenethylamino)ethanoyloxy]propanoic acid

Systemtic Name: 2-azanylpentanedioic acid; 2-[2-(phenethylamino)ethanoyloxy]propanoic acid Openeye Name: 2-aminopentanedioic acid; 2-[2-(phenethylamino)acetyl]oxypropanoic acid CAS Name: 2-aminopentanedioic acid; 2-[1-oxo-2-(phenethylamino)ethoxy]propanoic acid IUPAC Name: 2-aminopentanedioic acid; 2-[2-(phenethylamino)acetyl]oxypropanoic acid Traditional Name: 2-aminoglutaric acid; 2-[2-(phenethylamino)acetyl]oxypropionic acid Formula: C18H26N2O8 MolecularWeight: 398.40764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4.C5H9NO4/c1-10(13(16)17)18-12(15)9-14-8-7-11-5-3-2-4-6-11;6-3(5(9)10)1-2-4(7)8/h2-6,10,14H,7-9H2,1H3,(H,16,17);3H,1-2,6H2,(H,7,8)(H,9,10)