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

Systemtic Name: 3-[(1-cyclopentylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(cyclopentanecarbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[cyclopentyl(oxo)methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(cyclopentanecarbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(cyclopentanecarbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C23H26N4O8S2 MolecularWeight: 550.60454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H26N4O8S2/c28-19(29)14-18(16-7-3-8-17(13-16)27(32)33)24-21(30)22-25(23(31)15-5-1-2-6-15)10-11-26(22)37(34,35)20-9-4-12-36-20/h3-4,7-9,12-13,15,18,22H,1-2,5-6,10-11,14H2,(H,24,30)(H,28,29)