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

Systemtic Name: 2-azanyl-3-methyl-pentanoic acid; 2-[2-(phenethylamino)ethanoyloxy]propanoic acid Openeye Name: 2-amino-3-methyl-pentanoic acid; 2-[2-(phenethylamino)acetyl]oxypropanoic acid CAS Name: 2-amino-3-methylpentanoic acid; 2-[1-oxo-2-(phenethylamino)ethoxy]propanoic acid IUPAC Name: 2-amino-3-methylpentanoic acid; 2-[2-(phenethylamino)acetyl]oxypropanoic acid Traditional Name: 2-amino-3-methyl-valeric acid; 2-[2-(phenethylamino)acetyl]oxypropionic acid Formula: C19H30N2O6 MolecularWeight: 382.4513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4.C6H13NO2/c1-10(13(16)17)18-12(15)9-14-8-7-11-5-3-2-4-6-11;1-3-4(2)5(7)6(8)9/h2-6,10,14H,7-9H2,1H3,(H,16,17);4-5H,3,7H2,1-2H3,(H,8,9)