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

Systemtic Name: 2-methyl-2-(4-phenylsulfanylbutanoylamino)pentanoic acid Openeye Name: 2-methyl-2-(4-phenylsulfanylbutanoylamino)pentanoic acid CAS Name: 2-methyl-2-[[1-oxo-4-(phenylthio)butyl]amino]pentanoic acid IUPAC Name: 2-methyl-2-(4-phenylsulfanylbutanoylamino)pentanoic acid Traditional Name: 2-methyl-2-[4-(phenylthio)butanoylamino]valeric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC(=O)CCCSC1=CC=CC=C1

Isomeric SMILES

CCCC(C)(C(=O)O)NC(=O)CCCSC1=CC=CC=C1

InChI

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