3-[[1-[(4-chlorophenyl)carbamoyl]-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-[(4-chlorophenyl)carbamoyl]-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-[(4-chlorophenyl)carbamoyl]-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(4-chloroanilino)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-[(4-chlorophenyl)carbamoyl]-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-[(4-chlorophenyl)carbamoyl]-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C24H29ClN4O6S2 MolecularWeight: 569.09326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H29ClN4O6S2/c25-17-8-10-18(11-9-17)26-24(33)28-12-13-29(37(34,35)21-7-4-14-36-21)23(28)22(32)27-19(15-20(30)31)16-5-2-1-3-6-16/h4,7-11,14,16,19,23H,1-3,5-6,12-13,15H2,(H,26,33)(H,27,32)(H,30,31)