2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]hexanoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]hexanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-butanoyl]amino]hexanoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylbutyl]amino]hexanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylbutanoyl]amino]hexanoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-butanoyl]amino]hexanoic acid Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(CSC(=O)C)C(C)C1=CC=CC=C1

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(CSC(=O)C)C(C)C1=CC=CC=C1

InChI

InChI=1S/C19H27NO4S/c1-4-5-11-17(19(23)24)20-18(22)16(12-25-14(3)21)13(2)15-9-7-6-8-10-15/h6-10,13,16-17H,4-5,11-12H2,1-3H3,(H,20,22)(H,23,24)