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

Systemtic Name: 3-(3-nitrophenyl)-3-[[1-(prop-2-enylcarbamoyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(allylcarbamoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-(3-nitrophenyl)-3-[[oxo-[1-[oxo-(prop-2-enylamino)methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(3-nitrophenyl)-3-[[1-(prop-2-enylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-(allylcarbamoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C21H23N5O8S2 MolecularWeight: 537.56602

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C=CCNC(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H23N5O8S2/c1-2-8-22-21(30)24-9-10-25(36(33,34)18-7-4-11-35-18)20(24)19(29)23-16(13-17(27)28)14-5-3-6-15(12-14)26(31)32/h2-7,11-12,16,20H,1,8-10,13H2,(H,22,30)(H,23,29)(H,27,28)