2-azanyl-4-methyl-pentanoic acid; 2-[2-[2-(4-propylphenyl)ethylamino]ethanoyloxy]propanoic acid

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; 2-[2-[2-(4-propylphenyl)ethylamino]ethanoyloxy]propanoic acid Openeye Name: 2-amino-4-methyl-pentanoic acid; 2-[2-[2-(4-propylphenyl)ethylamino]acetyl]oxypropanoic acid CAS Name: 2-amino-4-methylpentanoic acid; 2-[1-oxo-2-[2-(4-propylphenyl)ethylamino]ethoxy]propanoic acid IUPAC Name: 2-amino-4-methylpentanoic acid; 2-[2-[2-(4-propylphenyl)ethylamino]acetyl]oxypropanoic acid Traditional Name: 2-amino-4-methyl-valeric acid; 2-[2-[2-(4-propylphenyl)ethylamino]acetyl]oxypropionic acid Formula: C22H36N2O6 MolecularWeight: 424.53104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CCNCC(=O)OC(C)C(=O)O.CC(C)CC(C(=O)O)N

Isomeric SMILES

CCCC1=CC=C(C=C1)CCNCC(=O)OC(C)C(=O)O.CC(C)CC(C(=O)O)N

InChI

InChI=1S/C16H23NO4.C6H13NO2/c1-3-4-13-5-7-14(8-6-13)9-10-17-11-15(18)21-12(2)16(19)20;1-4(2)3-5(7)6(8)9/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,19,20);4-5H,3,7H2,1-2H3,(H,8,9)