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

Systemtic Name: 3-(3-nitrophenyl)-3-[(1-phenylmethoxycarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-[[1-benzyloxycarbonyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-(3-nitrophenyl)-3-[[oxo-(1-phenylmethoxycarbonyl-3-thiophen-2-ylsulfonyl-2-imidazolidinyl)methyl]amino]propanoic acid IUPAC Name: 3-(3-nitrophenyl)-3-[(1-phenylmethoxycarbonyl-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-[[1-carbobenzoxy-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C25H24N4O9S2 MolecularWeight: 588.60946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)OCC2=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)OCC2=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/C25H24N4O9S2/c30-21(31)15-20(18-8-4-9-19(14-18)29(34)35)26-23(32)24-27(25(33)38-16-17-6-2-1-3-7-17)11-12-28(24)40(36,37)22-10-5-13-39-22/h1-10,13-14,20,24H,11-12,15-16H2,(H,26,32)(H,30,31)