2-azanyl-4-[2,3-bis(oxidanyl)phenyl]-2-(2-methylpropyl)-3-oxidanylidene-hexanoic acid

Systemtic Name: 2-azanyl-4-[2,3-bis(oxidanyl)phenyl]-2-(2-methylpropyl)-3-oxidanylidene-hexanoic acid Openeye Name: 2-amino-4-(2,3-dihydroxyphenyl)-2-isobutyl-3-oxo-hexanoic acid CAS Name: 2-amino-4-(2,3-dihydroxyphenyl)-2-(2-methylpropyl)-3-oxohexanoic acid IUPAC Name: 2-amino-4-(2,3-dihydroxyphenyl)-2-(2-methylpropyl)-3-oxohexanoic acid Traditional Name: 2-amino-4-(2,3-dihydroxyphenyl)-2-isobutyl-3-keto-hexanoic acid Formula: C16H23NO5 MolecularWeight: 309.35752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=CC=C1)O)O)C(=O)C(CC(C)C)(C(=O)O)N

Isomeric SMILES

CCC(C1=C(C(=CC=C1)O)O)C(=O)C(CC(C)C)(C(=O)O)N

InChI

InChI=1S/C16H23NO5/c1-4-10(11-6-5-7-12(18)13(11)19)14(20)16(17,15(21)22)8-9(2)3/h5-7,9-10,18-19H,4,8,17H2,1-3H3,(H,21,22)