3-[(1-morpholin-4-ylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[(1-morpholin-4-ylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(morpholine-4-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[4-morpholinyl(oxo)methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(morpholine-4-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(morpholine-4-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C22H25N5O9S2 MolecularWeight: 567.592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)N2CCOCC2)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)N2CCOCC2)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H25N5O9S2/c28-18(29)14-17(15-3-1-4-16(13-15)27(32)33)23-20(30)21-25(22(31)24-8-10-36-11-9-24)6-7-26(21)38(34,35)19-5-2-12-37-19/h1-5,12-13,17,21H,6-11,14H2,(H,23,30)(H,28,29)