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

Systemtic Name: 4-methyl-2-(4-phenylsulfanylbutanoylamino)pentanoic acid Openeye Name: 4-methyl-2-(4-phenylsulfanylbutanoylamino)pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-4-(phenylthio)butyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-(4-phenylsulfanylbutanoylamino)pentanoic acid Traditional Name: 4-methyl-2-[4-(phenylthio)butanoylamino]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)CCCSC1=CC=CC=C1

Isomeric SMILES

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

InChI

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