3-[(4-ethylsulfanylphenyl)methylsulfanyl]-2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]propanoic acid

Systemtic Name: 3-[(4-ethylsulfanylphenyl)methylsulfanyl]-2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]propanoic acid Openeye Name: 2-[(3-benzoylsulfanyl-2-methyl-propanoyl)amino]-3-[(4-ethylsulfanylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-[[3-(benzoylthio)-2-methyl-1-oxopropyl]amino]-3-[[4-(ethylthio)phenyl]methylthio]propanoic acid IUPAC Name: 2-[(3-benzoylsulfanyl-2-methylpropanoyl)amino]-3-[(4-ethylsulfanylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[[3-(benzoylthio)-2-methyl-propanoyl]amino]-3-[[4-(ethylthio)benzyl]thio]propionic acid Formula: C23H27NO4S3 MolecularWeight: 477.65978

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C(C)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CCSC1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C(C)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H27NO4S3/c1-3-30-19-11-9-17(10-12-19)14-29-15-20(22(26)27)24-21(25)16(2)13-31-23(28)18-7-5-4-6-8-18/h4-12,16,20H,3,13-15H2,1-2H3,(H,24,25)(H,26,27)