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

Systemtic Name: 3-[(1-cyclopropylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(cyclopropanecarbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[cyclopropyl(oxo)methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(cyclopropanecarbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(cyclopropanecarbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C21H22N4O8S2 MolecularWeight: 522.55138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CC1C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N4O8S2/c26-17(27)12-16(14-3-1-4-15(11-14)25(30)31)22-19(28)20-23(21(29)13-6-7-13)8-9-24(20)35(32,33)18-5-2-10-34-18/h1-5,10-11,13,16,20H,6-9,12H2,(H,22,28)(H,26,27)