4-[3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]phenyl]butanoic acid

Systemtic Name: 4-[3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]phenyl]butanoic acid Openeye Name: 4-[3-[(2-benzyl-3-sulfanyl-propanoyl)amino]phenyl]butanoic acid CAS Name: 4-[3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[3-[(2-benzyl-3-sulfanylpropanoyl)amino]phenyl]butanoic acid Traditional Name: 4-[3-[(2-benzyl-3-mercapto-propanoyl)amino]phenyl]butyric acid Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/c22-19(23)11-5-9-16-8-4-10-18(13-16)21-20(24)17(14-25)12-15-6-2-1-3-7-15/h1-4,6-8,10,13,17,25H,5,9,11-12,14H2,(H,21,24)(H,22,23)