3-[[1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 3-[[1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[[1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[[[1-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[[1-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[[1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C26H30FN5O6S2 MolecularWeight: 591.674703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30FN5O6S2/c1-26(2,3)20-15-19(30(4)29-20)25(36)31-11-12-32(40(37,38)22-6-5-13-39-22)24(31)23(35)28-18(14-21(33)34)16-7-9-17(27)10-8-16/h5-10,13,15,18,24H,11-12,14H2,1-4H3,(H,28,35)(H,33,34)