3-(3-nitrophenyl)-3-[[1-(phenylmethyl)sulfonyl-3-propylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(3-nitrophenyl)-3-[[1-(phenylmethyl)sulfonyl-3-propylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[(1-benzylsulfonyl-3-propylsulfonyl-imidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-(3-nitrophenyl)-3-[[oxo-[1-(phenylmethyl)sulfonyl-3-propylsulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[(1-benzylsulfonyl-3-propylsulfonylimidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[(1-benzylsulfonyl-3-propylsulfonyl-imidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propionic acid Formula: C23H28N4O9S2 MolecularWeight: 568.61982

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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)CC3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O9S2/c1-2-13-37(33,34)25-11-12-26(38(35,36)16-17-7-4-3-5-8-17)23(25)22(30)24-20(15-21(28)29)18-9-6-10-19(14-18)27(31)32/h3-10,14,20,23H,2,11-13,15-16H2,1H3,(H,24,30)(H,28,29)