4-methyl-2-(2-phenethylsulfanylethanoylamino)pentanoic acid

Systemtic Name: 4-methyl-2-(2-phenethylsulfanylethanoylamino)pentanoic acid Openeye Name: 4-methyl-2-[(2-phenethylsulfanylacetyl)amino]pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-(phenethylthio)ethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[(2-phenethylsulfanylacetyl)amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-(phenethylthio)acetyl]amino]valeric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CSCCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CSCCC1=CC=CC=C1

InChI

InChI=1S/C16H23NO3S/c1-12(2)10-14(16(19)20)17-15(18)11-21-9-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,18)(H,19,20)