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

Systemtic Name: 3-[[1-(3-cyclopentylpropanoyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(3-cyclopentylpropanoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-(3-cyclopentyl-1-oxopropyl)-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(3-cyclopentylpropanoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(3-cyclopentylpropanoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C25H30N4O8S2 MolecularWeight: 578.6577

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H30N4O8S2/c30-21(11-10-17-5-1-2-6-17)27-12-13-28(39(36,37)23-9-4-14-38-23)25(27)24(33)26-20(16-22(31)32)18-7-3-8-19(15-18)29(34)35/h3-4,7-9,14-15,17,20,25H,1-2,5-6,10-13,16H2,(H,26,33)(H,31,32)