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

Systemtic Name: 3-(3-nitrophenyl)-3-[[1-(3-phenylpropanoyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(3-nitrophenyl)-3-[[1-(3-phenylpropanoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(3-nitrophenyl)-3-[[oxo-[1-(1-oxo-3-phenylpropyl)-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(3-nitrophenyl)-3-[[1-(3-phenylpropanoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-hydrocinnamoyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C26H26N4O8S2 MolecularWeight: 586.63664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)CCC2=CC=CC=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)CCC2=CC=CC=C2)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C26H26N4O8S2/c31-22(12-11-18-6-2-1-3-7-18)28-13-14-29(40(37,38)24-10-5-15-39-24)26(28)25(34)27-21(17-23(32)33)19-8-4-9-20(16-19)30(35)36/h1-10,15-16,21,26H,11-14,17H2,(H,27,34)(H,32,33)