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

Systemtic Name: 3-(2,2-dimethyl-1-phenyl-butyl)sulfanyl-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid Openeye Name: 3-(2,2-dimethyl-1-phenyl-butyl)sulfanyl-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid CAS Name: 3-[(2,2-dimethyl-1-phenylbutyl)thio]-2-[(3-mercapto-2-methyl-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-(2,2-dimethyl-1-phenylbutyl)sulfanyl-2-[(2-methyl-3-sulfanylpropanoyl)amino]propanoic acid Traditional Name: 3-[(2,2-dimethyl-1-phenyl-butyl)thio]-2-[(3-mercapto-2-methyl-propanoyl)amino]propionic acid Formula: C19H29NO3S2 MolecularWeight: 383.56846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO3S2/c1-5-19(3,4)16(14-9-7-6-8-10-14)25-12-15(18(22)23)20-17(21)13(2)11-24/h6-10,13,15-16,24H,5,11-12H2,1-4H3,(H,20,21)(H,22,23)