2-(pentanoylamino)-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid

Systemtic Name: 2-(pentanoylamino)-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid Openeye Name: 2-(pentanoylamino)-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid CAS Name: 2-(1-oxopentylamino)-3-[4-(phenylthio)phenyl]sulfonylpropanoic acid IUPAC Name: 2-(pentanoylamino)-3-(4-phenylsulfanylphenyl)sulfonylpropanoic acid Traditional Name: 3-[4-(phenylthio)phenyl]sulfonyl-2-(valerylamino)propionic acid Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCC(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H23NO5S2/c1-2-3-9-19(22)21-18(20(23)24)14-28(25,26)17-12-10-16(11-13-17)27-15-7-5-4-6-8-15/h4-8,10-13,18H,2-3,9,14H2,1H3,(H,21,22)(H,23,24)