3-[[1-(3-cyclopentylpropanoyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 3-[[1-(3-cyclopentylpropanoyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[[1-(3-cyclopentylpropanoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[[[1-(3-cyclopentyl-1-oxopropyl)-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[[1-(3-cyclopentylpropanoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[[1-(3-cyclopentylpropanoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C25H30FN3O6S2 MolecularWeight: 551.650603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C25H30FN3O6S2/c26-19-10-8-18(9-11-19)20(16-22(31)32)27-24(33)25-28(21(30)12-7-17-4-1-2-5-17)13-14-29(25)37(34,35)23-6-3-15-36-23/h3,6,8-11,15,17,20,25H,1-2,4-5,7,12-14,16H2,(H,27,33)(H,31,32)