2-azanyl-4-methyl-pentanoic acid; 2-[2-[2-(3-hydroxyphenyl)ethylamino]ethanoyloxy]propanoic acid

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; 2-[2-[2-(3-hydroxyphenyl)ethylamino]ethanoyloxy]propanoic acid Openeye Name: 2-amino-4-methyl-pentanoic acid; 2-[2-[2-(3-hydroxyphenyl)ethylamino]acetyl]oxypropanoic acid CAS Name: 2-amino-4-methylpentanoic acid; 2-[2-[2-(3-hydroxyphenyl)ethylamino]-1-oxoethoxy]propanoic acid IUPAC Name: 2-amino-4-methylpentanoic acid; 2-[2-[2-(3-hydroxyphenyl)ethylamino]acetyl]oxypropanoic acid Traditional Name: 2-amino-4-methyl-valeric acid; 2-[2-[2-(3-hydroxyphenyl)ethylamino]acetyl]oxypropionic acid Formula: C19H30N2O7 MolecularWeight: 398.4507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5.C6H13NO2/c1-9(13(17)18)19-12(16)8-14-6-5-10-3-2-4-11(15)7-10;1-4(2)3-5(7)6(8)9/h2-4,7,9,14-15H,5-6,8H2,1H3,(H,17,18);4-5H,3,7H2,1-2H3,(H,8,9)