2-[[2-(ethylsulfanylmethyl)-3-quinolin-4-yl-propanoyl]amino]hexanoic acid

Systemtic Name: 2-[[2-(ethylsulfanylmethyl)-3-quinolin-4-yl-propanoyl]amino]hexanoic acid Openeye Name: 2-[[2-(ethylsulfanylmethyl)-3-(4-quinolyl)propanoyl]amino]hexanoic acid CAS Name: 2-[[2-[(ethylthio)methyl]-1-oxo-3-(4-quinolinyl)propyl]amino]hexanoic acid IUPAC Name: 2-[[2-(ethylsulfanylmethyl)-3-quinolin-4-ylpropanoyl]amino]hexanoic acid Traditional Name: 2-[[2-[(ethylthio)methyl]-3-(4-quinolyl)propanoyl]amino]hexanoic acid Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-3-5-9-19(21(25)26)23-20(24)16(14-27-4-2)13-15-11-12-22-18-10-7-6-8-17(15)18/h6-8,10-12,16,19H,3-5,9,13-14H2,1-2H3,(H,23,24)(H,25,26)