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

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; 2-[2-[2-(4-methylphenyl)ethylamino]ethanoyloxy]propanoic acid Openeye Name: 2-amino-4-methyl-pentanoic acid; 2-[2-[2-(p-tolyl)ethylamino]acetyl]oxypropanoic acid CAS Name: 2-amino-4-methylpentanoic acid; 2-[2-[2-(4-methylphenyl)ethylamino]-1-oxoethoxy]propanoic acid IUPAC Name: 2-amino-4-methylpentanoic acid; 2-[2-[2-(4-methylphenyl)ethylamino]acetyl]oxypropanoic acid Traditional Name: 2-amino-4-methyl-valeric acid; 2-[2-[2-(p-tolyl)ethylamino]acetyl]oxypropionic acid Formula: C20H32N2O6 MolecularWeight: 396.47788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNCC(=O)OC(C)C(=O)O.CC(C)CC(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)CCNCC(=O)OC(C)C(=O)O.CC(C)CC(C(=O)O)N

InChI

InChI=1S/C14H19NO4.C6H13NO2/c1-10-3-5-12(6-4-10)7-8-15-9-13(16)19-11(2)14(17)18;1-4(2)3-5(7)6(8)9/h3-6,11,15H,7-9H2,1-2H3,(H,17,18);4-5H,3,7H2,1-2H3,(H,8,9)