2-[[2-(furan-2-ylmethylsulfonylmethyl)-3-phenyl-propanoyl]amino]hexanoic acid

Systemtic Name: 2-[[2-(furan-2-ylmethylsulfonylmethyl)-3-phenyl-propanoyl]amino]hexanoic acid Openeye Name: 2-[[2-benzyl-3-(2-furylmethylsulfonyl)propanoyl]amino]hexanoic acid CAS Name: 2-[[2-(2-furanylmethylsulfonylmethyl)-1-oxo-3-phenylpropyl]amino]hexanoic acid IUPAC Name: 2-[[2-benzyl-3-(furan-2-ylmethylsulfonyl)propanoyl]amino]hexanoic acid Traditional Name: 2-[[2-benzyl-3-(2-furfurylsulfonyl)propanoyl]amino]hexanoic acid Formula: C21H27NO6S MolecularWeight: 421.50718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)CC2=CC=CO2

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)CC2=CC=CO2

InChI

InChI=1S/C21H27NO6S/c1-2-3-11-19(21(24)25)22-20(23)17(13-16-8-5-4-6-9-16)14-29(26,27)15-18-10-7-12-28-18/h4-10,12,17,19H,2-3,11,13-15H2,1H3,(H,22,23)(H,24,25)