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

Systemtic Name: 3-[(1-ethanoyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-acetyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[(1-acetyl-3-thiophen-2-ylsulfonyl-2-imidazolidinyl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[(1-acetyl-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-acetyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C19H20N4O8S2 MolecularWeight: 496.5141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O8S2/c1-12(24)21-7-8-22(33(30,31)17-6-3-9-32-17)19(21)18(27)20-15(11-16(25)26)13-4-2-5-14(10-13)23(28)29/h2-6,9-10,15,19H,7-8,11H2,1H3,(H,20,27)(H,25,26)