1-[[(2S,4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-ethanoyl]amino]-3-methyl-butanoyl]-4-[7-(trifluoromethyl)quinolin-4-yl]sulfanyl-pyrrolidin-2-yl]carbonylamino]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[(2S,4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-ethanoyl]amino]-3-methyl-butanoyl]-4-[7-(trifluoromethyl)quinolin-4-yl]sulfanyl-pyrrolidin-2-yl]carbonylamino]cyclopropane-1-carboxylic acid Openeye Name: 1-[[(2S,4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-acetyl]amino]-3-methyl-butanoyl]-4-[[7-(trifluoromethyl)-4-quinolyl]sulfanyl]pyrrolidine-2-carbonyl]amino]cyclopropanecarboxylic acid CAS Name: 1-[[[(2S,4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-1-oxoethyl]amino]-3-methyl-1-oxobutyl]-4-[[7-(trifluoromethyl)-4-quinolinyl]thio]-2-pyrrolidinyl]-oxomethyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[(2S,4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexylacetyl]amino]-3-methylbutanoyl]-4-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid Traditional Name: 1-[[(2S,4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-acetyl]amino]-3-methyl-butanoyl]-4-[[7-(trifluoromethyl)-4-quinolyl]thio]prolyl]amino]cyclopropanecarboxylic acid Formula: C34H42F3N5O6S MolecularWeight: 705.78739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2)C(=O)O)SC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)NC(=O)C(C5CCCCC5)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NC2(CC2)C(=O)O)SC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)NC(=O)[C@H](C5CCCCC5)NC(=O)C

InChI

InChI=1S/C34H42F3N5O6S/c1-18(2)27(40-30(45)28(39-19(3)43)20-7-5-4-6-8-20)31(46)42-17-22(16-25(42)29(44)41-33(12-13-33)32(47)48)49-26-11-14-38-24-15-21(34(35,36)37)9-10-23(24)26/h9-11,14-15,18,20,22,25,27-28H,4-8,12-13,16-17H2,1-3H3,(H,39,43)(H,40,45)(H,41,44)(H,47,48)/t22-,25+,27+,28+/m1/s1