3-(3-nitrophenyl)-3-[(1-propylsulfonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(3-nitrophenyl)-3-[(1-propylsulfonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-(3-nitrophenyl)-3-[[1-propylsulfonyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(3-nitrophenyl)-3-[[oxo-(1-propylsulfonyl-3-thiophen-2-ylsulfonyl-2-imidazolidinyl)methyl]amino]propanoic acid IUPAC Name: 3-(3-nitrophenyl)-3-[(1-propylsulfonyl-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-(3-nitrophenyl)-3-[[1-propylsulfonyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C20H24N4O9S3 MolecularWeight: 560.62096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCCS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N4O9S3/c1-2-11-35(30,31)22-8-9-23(36(32,33)18-7-4-10-34-18)20(22)19(27)21-16(13-17(25)26)14-5-3-6-15(12-14)24(28)29/h3-7,10,12,16,20H,2,8-9,11,13H2,1H3,(H,21,27)(H,25,26)