3-(3-nitrophenyl)-3-[(1-pyridin-4-ylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(3-nitrophenyl)-3-[(1-pyridin-4-ylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-(3-nitrophenyl)-3-[[1-(pyridine-4-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(3-nitrophenyl)-3-[[oxo-[1-[oxo(pyridin-4-yl)methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(3-nitrophenyl)-3-[[1-(pyridine-4-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-isonicotinoyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C23H21N5O8S2 MolecularWeight: 559.57154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC=NC=C2)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC=NC=C2)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H21N5O8S2/c29-19(30)14-18(16-3-1-4-17(13-16)28(33)34)25-21(31)22-26(23(32)15-6-8-24-9-7-15)10-11-27(22)38(35,36)20-5-2-12-37-20/h1-9,12-13,18,22H,10-11,14H2,(H,25,31)(H,29,30)