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

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; 2-[2-[2-(4-ethylphenyl)ethylamino]ethanoyloxy]propanoic acid Openeye Name: 2-amino-4-methyl-pentanoic acid; 2-[2-[2-(4-ethylphenyl)ethylamino]acetyl]oxypropanoic acid CAS Name: 2-amino-4-methylpentanoic acid; 2-[2-[2-(4-ethylphenyl)ethylamino]-1-oxoethoxy]propanoic acid IUPAC Name: 2-amino-4-methylpentanoic acid; 2-[2-[2-(4-ethylphenyl)ethylamino]acetyl]oxypropanoic acid Traditional Name: 2-amino-4-methyl-valeric acid; 2-[2-[2-(4-ethylphenyl)ethylamino]acetyl]oxypropionic acid Formula: C21H34N2O6 MolecularWeight: 410.50446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCNCC(=O)OC(C)C(=O)O.CC(C)CC(C(=O)O)N

Isomeric SMILES

CCC1=CC=C(C=C1)CCNCC(=O)OC(C)C(=O)O.CC(C)CC(C(=O)O)N

InChI

InChI=1S/C15H21NO4.C6H13NO2/c1-3-12-4-6-13(7-5-12)8-9-16-10-14(17)20-11(2)15(18)19;1-4(2)3-5(7)6(8)9/h4-7,11,16H,3,8-10H2,1-2H3,(H,18,19);4-5H,3,7H2,1-2H3,(H,8,9)