3-cyclohexyl-3-[[1-(3,4-dichlorophenyl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-(3,4-dichlorophenyl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(3,4-dichlorobenzoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3,4-dichlorophenyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3,4-dichlorobenzoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(3,4-dichlorobenzoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C24H27Cl2N3O6S2 MolecularWeight: 588.52368

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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(=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H27Cl2N3O6S2/c25-17-9-8-16(13-18(17)26)24(33)28-10-11-29(37(34,35)21-7-4-12-36-21)23(28)22(32)27-19(14-20(30)31)15-5-2-1-3-6-15/h4,7-9,12-13,15,19,23H,1-3,5-6,10-11,14H2,(H,27,32)(H,30,31)