2-[[2-methyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]propanoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[[2-methyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]propanoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-methyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]propanoyl]amino]propanoic acid CAS Name: 2-[[2-[(2-mercapto-3-methyl-1-oxobutyl)amino]-2-methyl-1-oxopropyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-methyl-2-[(3-methyl-2-sulfanylbutanoyl)amino]propanoyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-[(2-mercapto-3-methyl-butanoyl)amino]-2-methyl-propanoyl]amino]propionic acid Formula: C19H28N2O4S2 MolecularWeight: 412.56662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)(C)C(=O)NC(CSCC1=CC=CC=C1)C(=O)O)S

Isomeric SMILES

CC(C)C(C(=O)NC(C)(C)C(=O)NC(CSCC1=CC=CC=C1)C(=O)O)S

InChI

InChI=1S/C19H28N2O4S2/c1-12(2)15(26)16(22)21-19(3,4)18(25)20-14(17(23)24)11-27-10-13-8-6-5-7-9-13/h5-9,12,14-15,26H,10-11H2,1-4H3,(H,20,25)(H,21,22)(H,23,24)