2-azanyl-7-methyl-4-oxidanyl-2-(2-oxidanylpropyl)octanoic acid

Systemtic Name: 2-azanyl-7-methyl-4-oxidanyl-2-(2-oxidanylpropyl)octanoic acid Openeye Name: 2-amino-4-hydroxy-2-(2-hydroxypropyl)-7-methyl-octanoic acid CAS Name: 2-amino-4-hydroxy-2-(2-hydroxypropyl)-7-methyloctanoic acid IUPAC Name: 2-amino-4-hydroxy-2-(2-hydroxypropyl)-7-methyloctanoic acid Traditional Name: 2-amino-4-hydroxy-2-(2-hydroxypropyl)-7-methyl-caprylic acid Formula: C12H25NO4 MolecularWeight: 247.3312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC(CC(C)O)(C(=O)O)N)O

Isomeric SMILES

CC(C)CCC(CC(CC(C)O)(C(=O)O)N)O

InChI

InChI=1S/C12H25NO4/c1-8(2)4-5-10(15)7-12(13,11(16)17)6-9(3)14/h8-10,14-15H,4-7,13H2,1-3H3,(H,16,17)