2-[2-(3-methylbutanoylamino)phenyl]sulfanylpentanoic acid

Systemtic Name: 2-[2-(3-methylbutanoylamino)phenyl]sulfanylpentanoic acid Openeye Name: 2-[2-(3-methylbutanoylamino)phenyl]sulfanylpentanoic acid CAS Name: 2-[[2-[(3-methyl-1-oxobutyl)amino]phenyl]thio]pentanoic acid IUPAC Name: 2-[2-(3-methylbutanoylamino)phenyl]sulfanylpentanoic acid Traditional Name: 2-[[2-(isovalerylamino)phenyl]thio]valeric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC1=CC=CC=C1NC(=O)CC(C)C

Isomeric SMILES

CCCC(C(=O)O)SC1=CC=CC=C1NC(=O)CC(C)C

InChI

InChI=1S/C16H23NO3S/c1-4-7-14(16(19)20)21-13-9-6-5-8-12(13)17-15(18)10-11(2)3/h5-6,8-9,11,14H,4,7,10H2,1-3H3,(H,17,18)(H,19,20)