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

Systemtic Name: 2-[[2,2-dimethyl-3-(phenylmethylsulfanyl)propanoyl]-(phenylmethyl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[benzyl-(3-benzylsulfanyl-2,2-dimethyl-propanoyl)amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2,2-dimethyl-1-oxo-3-(phenylmethylthio)propyl]-(phenylmethyl)amino]-3-mercaptopropanoic acid IUPAC Name: 2-[benzyl-(3-benzylsulfanyl-2,2-dimethylpropanoyl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[benzyl-[3-(benzylthio)-2,2-dimethyl-propanoyl]amino]-3-mercapto-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)N(CC2=CC=CC=C2)C(CS)C(=O)O

Isomeric SMILES

CC(C)(CSCC1=CC=CC=C1)C(=O)N(CC2=CC=CC=C2)C(CS)C(=O)O

InChI

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