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

Systemtic Name: 3-cyclohexyl-3-[[1-[2-(3-methoxyphenyl)ethanoyl]-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-[2-(3-methoxyphenyl)acetyl]-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[2-(3-methoxyphenyl)-1-oxoethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-[2-(3-methoxyphenyl)acetyl]-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-[2-(3-methoxyphenyl)acetyl]-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C26H33N3O7S2 MolecularWeight: 563.68612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C26H33N3O7S2/c1-36-20-10-5-7-18(15-20)16-22(30)28-12-13-29(38(34,35)24-11-6-14-37-24)26(28)25(33)27-21(17-23(31)32)19-8-3-2-4-9-19/h5-7,10-11,14-15,19,21,26H,2-4,8-9,12-13,16-17H2,1H3,(H,27,33)(H,31,32)