2-[[4-methylsulfanyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-methylsulfanyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-methylsulfanyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(2-mercapto-3-methyl-1-oxobutyl)amino]-4-(methylthio)-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-methylsulfanyl-2-[(3-methyl-2-sulfanylbutanoyl)amino]butanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(2-mercapto-3-methyl-butanoyl)amino]-4-(methylthio)butanoyl]amino]-3-phenyl-propionic acid Formula: C19H28N2O4S2 MolecularWeight: 412.56662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCSC)C(=O)NC(CC1=CC=CC=C1)C(=O)O)S

Isomeric SMILES

CC(C)C(C(=O)NC(CCSC)C(=O)NC(CC1=CC=CC=C1)C(=O)O)S

InChI

InChI=1S/C19H28N2O4S2/c1-12(2)16(26)18(23)20-14(9-10-27-3)17(22)21-15(19(24)25)11-13-7-5-4-6-8-13/h4-8,12,14-16,26H,9-11H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)