2-ethyl-5-[2-[[2-(ethylsulfonylmethyl)-3-quinolin-4-yl-propanoyl]amino]hexanoylamino]-7-methyl-4-oxidanyl-octanoic acid

Systemtic Name: 2-ethyl-5-[2-[[2-(ethylsulfonylmethyl)-3-quinolin-4-yl-propanoyl]amino]hexanoylamino]-7-methyl-4-oxidanyl-octanoic acid Openeye Name: 2-ethyl-5-[2-[[2-(ethylsulfonylmethyl)-3-(4-quinolyl)propanoyl]amino]hexanoylamino]-4-hydroxy-7-methyl-octanoic acid CAS Name: 2-ethyl-5-[[2-[[2-(ethylsulfonylmethyl)-1-oxo-3-(4-quinolinyl)propyl]amino]-1-oxohexyl]amino]-4-hydroxy-7-methyloctanoic acid IUPAC Name: 2-ethyl-5-[2-[[2-(ethylsulfonylmethyl)-3-quinolin-4-ylpropanoyl]amino]hexanoylamino]-4-hydroxy-7-methyloctanoic acid Traditional Name: 5-[2-[[2-(esylmethyl)-3-(4-quinolyl)propanoyl]amino]hexanoylamino]-2-ethyl-4-hydroxy-7-methyl-caprylic acid Formula: C32H49N3O7S MolecularWeight: 619.81236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(C)C)C(CC(CC)C(=O)O)O)NC(=O)C(CC1=CC=NC2=CC=CC=C12)CS(=O)(=O)CC

Isomeric SMILES

CCCCC(C(=O)NC(CC(C)C)C(CC(CC)C(=O)O)O)NC(=O)C(CC1=CC=NC2=CC=CC=C12)CS(=O)(=O)CC

InChI

InChI=1S/C32H49N3O7S/c1-6-9-13-27(31(38)35-28(17-21(4)5)29(36)19-22(7-2)32(39)40)34-30(37)24(20-43(41,42)8-3)18-23-15-16-33-26-14-11-10-12-25(23)26/h10-12,14-16,21-22,24,27-29,36H,6-9,13,17-20H2,1-5H3,(H,34,37)(H,35,38)(H,39,40)