2-azanyl-4-methyl-pentanoic acid; 2-[2-(2-thiophen-2-ylethylamino)ethanoyloxy]propanoic acid

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; 2-[2-(2-thiophen-2-ylethylamino)ethanoyloxy]propanoic acid Openeye Name: 2-amino-4-methyl-pentanoic acid; 2-[2-[2-(2-thienyl)ethylamino]acetyl]oxypropanoic acid CAS Name: 2-amino-4-methylpentanoic acid; 2-[1-oxo-2-(2-thiophen-2-ylethylamino)ethoxy]propanoic acid IUPAC Name: 2-amino-4-methylpentanoic acid; 2-[2-(2-thiophen-2-ylethylamino)acetyl]oxypropanoic acid Traditional Name: 2-amino-4-methyl-valeric acid; 2-[2-[2-(2-thienyl)ethylamino]acetyl]oxypropionic acid Formula: C17H28N2O6S MolecularWeight: 388.47902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N.CC(C(=O)O)OC(=O)CNCCC1=CC=CS1

Isomeric SMILES

CC(C)CC(C(=O)O)N.CC(C(=O)O)OC(=O)CNCCC1=CC=CS1

InChI

InChI=1S/C11H15NO4S.C6H13NO2/c1-8(11(14)15)16-10(13)7-12-5-4-9-3-2-6-17-9;1-4(2)3-5(7)6(8)9/h2-3,6,8,12H,4-5,7H2,1H3,(H,14,15);4-5H,3,7H2,1-2H3,(H,8,9)