2-[[2,2-dimethyl-3-(phenylmethylsulfanyl)propanoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[[2,2-dimethyl-3-(phenylmethylsulfanyl)propanoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[(3-benzylsulfanyl-2,2-dimethyl-propanoyl)amino]propanoic acid CAS Name: 2-[[2,2-dimethyl-1-oxo-3-(phenylmethylthio)propyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[(3-benzylsulfanyl-2,2-dimethylpropanoyl)amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[3-(benzylthio)-2,2-dimethyl-propanoyl]amino]propionic acid Formula: C22H27NO3S2 MolecularWeight: 417.58468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSCC1=CC=CC=C1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(CSCC1=CC=CC=C1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H27NO3S2/c1-22(2,16-28-14-18-11-7-4-8-12-18)21(26)23-19(20(24)25)15-27-13-17-9-5-3-6-10-17/h3-12,19H,13-16H2,1-2H3,(H,23,26)(H,24,25)