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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]propanoic acid Openeye Name: 2-[(3-benzoylsulfanyl-2-methyl-propanoyl)amino]-3-[(4-bromophenyl)methylsulfanyl]propanoic acid CAS Name: 2-[[3-(benzoylthio)-2-methyl-1-oxopropyl]amino]-3-[(4-bromophenyl)methylthio]propanoic acid IUPAC Name: 2-[(3-benzoylsulfanyl-2-methylpropanoyl)amino]-3-[(4-bromophenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[[3-(benzoylthio)-2-methyl-propanoyl]amino]-3-[(4-bromobenzyl)thio]propionic acid Formula: C21H22BrNO4S2 MolecularWeight: 496.43768

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)NC(CSCC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)NC(CSCC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C21H22BrNO4S2/c1-14(11-29-21(27)16-5-3-2-4-6-16)19(24)23-18(20(25)26)13-28-12-15-7-9-17(22)10-8-15/h2-10,14,18H,11-13H2,1H3,(H,23,24)(H,25,26)