2-[[2-(naphthalen-1-ylmethyl)-3-pyrimidin-2-ylsulfinyl-propanoyl]amino]hexanoic acid

Systemtic Name: 2-[[2-(naphthalen-1-ylmethyl)-3-pyrimidin-2-ylsulfinyl-propanoyl]amino]hexanoic acid Openeye Name: 2-[[2-(1-naphthylmethyl)-3-pyrimidin-2-ylsulfinyl-propanoyl]amino]hexanoic acid CAS Name: 2-[[2-(1-naphthalenylmethyl)-1-oxo-3-(2-pyrimidinylsulfinyl)propyl]amino]hexanoic acid IUPAC Name: 2-[[2-(naphthalen-1-ylmethyl)-3-pyrimidin-2-ylsulfinylpropanoyl]amino]hexanoic acid Traditional Name: 2-[[2-(1-naphthylmethyl)-3-(2-pyrimidylsulfinyl)propanoyl]amino]hexanoic acid Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CS(=O)C3=NC=CC=N3

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CS(=O)C3=NC=CC=N3

InChI

InChI=1S/C24H27N3O4S/c1-2-3-12-21(23(29)30)27-22(28)19(16-32(31)24-25-13-7-14-26-24)15-18-10-6-9-17-8-4-5-11-20(17)18/h4-11,13-14,19,21H,2-3,12,15-16H2,1H3,(H,27,28)(H,29,30)