2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanylpentanoic acid

Systemtic Name: 2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanylpentanoic acid Openeye Name: 2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanylpentanoic acid CAS Name: 2-[[2-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]pentanoic acid IUPAC Name: 2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanylpentanoic acid Traditional Name: 2-[[2-(3,3-dimethylbutanoylamino)phenyl]thio]valeric acid Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3S/c1-5-8-14(16(20)21)22-13-10-7-6-9-12(13)18-15(19)11-17(2,3)4/h6-7,9-10,14H,5,8,11H2,1-4H3,(H,18,19)(H,20,21)