3-[[1-(3-cyanophenyl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(3-cyanophenyl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(3-cyanobenzoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(3-cyanophenyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(3-cyanobenzoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(3-cyanobenzoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C25H28N4O6S2 MolecularWeight: 544.64302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=CS3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=CS3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H28N4O6S2/c26-16-17-6-4-9-19(14-17)25(33)28-11-12-29(37(34,35)22-10-5-13-36-22)24(28)23(32)27-20(15-21(30)31)18-7-2-1-3-8-18/h4-6,9-10,13-14,18,20,24H,1-3,7-8,11-12,15H2,(H,27,32)(H,30,31)