3-(2,2-dimethyl-1-phenyl-hexyl)sulfanyl-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid

Systemtic Name: 3-(2,2-dimethyl-1-phenyl-hexyl)sulfanyl-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid Openeye Name: 3-(2,2-dimethyl-1-phenyl-hexyl)sulfanyl-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid CAS Name: 3-[(2,2-dimethyl-1-phenylhexyl)thio]-2-[(3-mercapto-2-methyl-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-(2,2-dimethyl-1-phenylhexyl)sulfanyl-2-[(2-methyl-3-sulfanylpropanoyl)amino]propanoic acid Traditional Name: 3-[(2,2-dimethyl-1-phenyl-hexyl)thio]-2-[(3-mercapto-2-methyl-propanoyl)amino]propionic acid Formula: C21H33NO3S2 MolecularWeight: 411.62162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C1=CC=CC=C1)SCC(C(=O)O)NC(=O)C(C)CS

Isomeric SMILES

CCCCC(C)(C)C(C1=CC=CC=C1)SCC(C(=O)O)NC(=O)C(C)CS

InChI

InChI=1S/C21H33NO3S2/c1-5-6-12-21(3,4)18(16-10-8-7-9-11-16)27-14-17(20(24)25)22-19(23)15(2)13-26/h7-11,15,17-18,26H,5-6,12-14H2,1-4H3,(H,22,23)(H,24,25)