3-[[1-(4-tert-butylphenyl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 3-[[1-(4-tert-butylphenyl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[[1-(4-tert-butylbenzoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[[[1-[(4-tert-butylphenyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[[1-(4-tert-butylbenzoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[[1-(4-tert-butylbenzoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C28H30FN3O6S2 MolecularWeight: 587.682703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C28H30FN3O6S2/c1-28(2,3)20-10-6-19(7-11-20)27(36)31-14-15-32(40(37,38)24-5-4-16-39-24)26(31)25(35)30-22(17-23(33)34)18-8-12-21(29)13-9-18/h4-13,16,22,26H,14-15,17H2,1-3H3,(H,30,35)(H,33,34)