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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-3-10-16(2,15(19)20)17-14(18)12-21-11-9-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,17,18)(H,19,20)