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

Systemtic Name: 3-cyclohexyl-3-[[1-[(3-methylphenyl)carbamoyl]-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(m-tolylcarbamoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3-methylanilino)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-[(3-methylphenyl)carbamoyl]-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(m-tolylcarbamoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C25H32N4O6S2 MolecularWeight: 548.67478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C25H32N4O6S2/c1-17-7-5-10-19(15-17)26-25(33)28-12-13-29(37(34,35)22-11-6-14-36-22)24(28)23(32)27-20(16-21(30)31)18-8-3-2-4-9-18/h5-7,10-11,14-15,18,20,24H,2-4,8-9,12-13,16H2,1H3,(H,26,33)(H,27,32)(H,30,31)