3-[[5-phenyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid

Systemtic Name: 3-[[5-phenyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid Openeye Name: 3-[[5-phenyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-5-phenylpentyl]amino]benzoic acid IUPAC Name: 3-[[5-phenyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid Traditional Name: 3-[[2-(mercaptomethyl)-5-phenyl-pentanoyl]amino]benzoic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CS)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CS)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H21NO3S/c21-18(20-17-11-5-9-15(12-17)19(22)23)16(13-24)10-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,11-12,16,24H,4,8,10,13H2,(H,20,21)(H,22,23)