2-[2-(pentanoylamino)phenyl]sulfanylpentanoic acid

Systemtic Name: 2-[2-(pentanoylamino)phenyl]sulfanylpentanoic acid Openeye Name: 2-[2-(pentanoylamino)phenyl]sulfanylpentanoic acid CAS Name: 2-[[2-(1-oxopentylamino)phenyl]thio]pentanoic acid IUPAC Name: 2-[2-(pentanoylamino)phenyl]sulfanylpentanoic acid Traditional Name: 2-[[2-(valerylamino)phenyl]thio]valeric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=CC=C1SC(CCC)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=CC=CC=C1SC(CCC)C(=O)O

InChI

InChI=1S/C16H23NO3S/c1-3-5-11-15(18)17-12-9-6-7-10-13(12)21-14(8-4-2)16(19)20/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,17,18)(H,19,20)