4-methyl-2-[[2-(propan-2-ylsulfonylmethyl)-3-quinolin-8-yl-propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[2-(propan-2-ylsulfonylmethyl)-3-quinolin-8-yl-propanoyl]amino]pentanoic acid Openeye Name: 2-[[2-(isopropylsulfonylmethyl)-3-(8-quinolyl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-(propan-2-ylsulfonylmethyl)-3-(8-quinolinyl)propyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-(propan-2-ylsulfonylmethyl)-3-quinolin-8-ylpropanoyl]amino]pentanoic acid Traditional Name: 2-[[2-(isopropylsulfonylmethyl)-3-(8-quinolyl)propanoyl]amino]-4-methyl-valeric acid Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC2=C1N=CC=C2)CS(=O)(=O)C(C)C

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC2=C1N=CC=C2)CS(=O)(=O)C(C)C

InChI

InChI=1S/C22H30N2O5S/c1-14(2)11-19(22(26)27)24-21(25)18(13-30(28,29)15(3)4)12-17-8-5-7-16-9-6-10-23-20(16)17/h5-10,14-15,18-19H,11-13H2,1-4H3,(H,24,25)(H,26,27)