3,4-bis[2-(phenylcarbonylsulfanyl)ethanoylamino]butanoic acid

Systemtic Name: 3,4-bis[2-(phenylcarbonylsulfanyl)ethanoylamino]butanoic acid Openeye Name: 3,4-bis[(2-benzoylsulfanylacetyl)amino]butanoic acid CAS Name: 3,4-bis[[2-(benzoylthio)-1-oxoethyl]amino]butanoic acid IUPAC Name: 3,4-bis[(2-benzoylsulfanylacetyl)amino]butanoic acid Traditional Name: 3,4-bis[[2-(benzoylthio)acetyl]amino]butyric acid Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC(=O)NCC(CC(=O)O)NC(=O)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(=O)NCC(CC(=O)O)NC(=O)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H22N2O6S2/c25-18(13-31-21(29)15-7-3-1-4-8-15)23-12-17(11-20(27)28)24-19(26)14-32-22(30)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,23,25)(H,24,26)(H,27,28)