1-[[(4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-ethanoyl]amino]-3-methyl-butanoyl]-4-[8-(trifluoromethyl)quinolin-4-yl]oxy-pyrrolidin-2-yl]carbonylamino]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[(4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-ethanoyl]amino]-3-methyl-butanoyl]-4-[8-(trifluoromethyl)quinolin-4-yl]oxy-pyrrolidin-2-yl]carbonylamino]cyclopropane-1-carboxylic acid Openeye Name: 1-[[(4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-acetyl]amino]-3-methyl-butanoyl]-4-[[8-(trifluoromethyl)-4-quinolyl]oxy]pyrrolidine-2-carbonyl]amino]cyclopropanecarboxylic acid CAS Name: 1-[[[(4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-1-oxoethyl]amino]-3-methyl-1-oxobutyl]-4-[[8-(trifluoromethyl)-4-quinolinyl]oxy]-2-pyrrolidinyl]-oxomethyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[(4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexylacetyl]amino]-3-methylbutanoyl]-4-[8-(trifluoromethyl)quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid Traditional Name: 1-[[(4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-acetyl]amino]-3-methyl-butanoyl]-4-[[8-(trifluoromethyl)-4-quinolyl]oxy]prolyl]amino]cyclopropanecarboxylic acid Formula: C34H42F3N5O7 MolecularWeight: 689.72179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2)C(=O)O)OC3=C4C=CC=C(C4=NC=C3)C(F)(F)F)NC(=O)C(C5CCCCC5)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1C[C@@H](CC1C(=O)NC2(CC2)C(=O)O)OC3=C4C=CC=C(C4=NC=C3)C(F)(F)F)NC(=O)[C@H](C5CCCCC5)NC(=O)C

InChI

InChI=1S/C34H42F3N5O7/c1-18(2)26(40-30(45)27(39-19(3)43)20-8-5-4-6-9-20)31(46)42-17-21(16-24(42)29(44)41-33(13-14-33)32(47)48)49-25-12-15-38-28-22(25)10-7-11-23(28)34(35,36)37/h7,10-12,15,18,20-21,24,26-27H,4-6,8-9,13-14,16-17H2,1-3H3,(H,39,43)(H,40,45)(H,41,44)(H,47,48)/t21-,24?,26+,27+/m1/s1