2-azanyl-3-ethylsulfonyl-2-(2-methyl-3-quinolin-8-yl-propanoyl)hexanoic acid

Systemtic Name: 2-azanyl-3-ethylsulfonyl-2-(2-methyl-3-quinolin-8-yl-propanoyl)hexanoic acid Openeye Name: 2-amino-3-ethylsulfonyl-2-[2-methyl-3-(8-quinolyl)propanoyl]hexanoic acid CAS Name: 2-amino-3-ethylsulfonyl-2-[2-methyl-1-oxo-3-(8-quinolinyl)propyl]hexanoic acid IUPAC Name: 2-amino-3-ethylsulfonyl-2-(2-methyl-3-quinolin-8-ylpropanoyl)hexanoic acid Traditional Name: 2-amino-3-esyl-2-[2-methyl-3-(8-quinolyl)propanoyl]hexanoic acid Formula: C21H28N2O5S MolecularWeight: 420.52242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)C(C)CC1=CC=CC2=C1N=CC=C2)(C(=O)O)N)S(=O)(=O)CC

Isomeric SMILES

CCCC(C(C(=O)C(C)CC1=CC=CC2=C1N=CC=C2)(C(=O)O)N)S(=O)(=O)CC

InChI

InChI=1S/C21H28N2O5S/c1-4-8-17(29(27,28)5-2)21(22,20(25)26)19(24)14(3)13-16-10-6-9-15-11-7-12-23-18(15)16/h6-7,9-12,14,17H,4-5,8,13,22H2,1-3H3,(H,25,26)