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

Systemtic Name: 3-(3-nitrophenyl)-3-[[1-(phenylmethyl)sulfonyl-3-pyridin-4-ylcarbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(pyridine-4-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-(3-nitrophenyl)-3-[[oxo-[1-[oxo(pyridin-4-yl)methyl]-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(pyridine-4-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[(1-benzylsulfonyl-3-isonicotinoyl-imidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propionic acid Formula: C26H25N5O8S MolecularWeight: 567.5704

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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)CC4=CC=CC=C4

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)CC4=CC=CC=C4

InChI

InChI=1S/C26H25N5O8S/c32-23(33)16-22(20-7-4-8-21(15-20)31(36)37)28-24(34)25-29(26(35)19-9-11-27-12-10-19)13-14-30(25)40(38,39)17-18-5-2-1-3-6-18/h1-12,15,22,25H,13-14,16-17H2,(H,28,34)(H,32,33)