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

Systemtic Name: 3-(2,2-dimethyl-1-phenyl-propyl)sulfanyl-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid Openeye Name: 3-(2,2-dimethyl-1-phenyl-propyl)sulfanyl-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid CAS Name: 3-[(2,2-dimethyl-1-phenylpropyl)thio]-2-[(3-mercapto-2-methyl-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-(2,2-dimethyl-1-phenylpropyl)sulfanyl-2-[(2-methyl-3-sulfanylpropanoyl)amino]propanoic acid Traditional Name: 3-[(2,2-dimethyl-1-phenyl-propyl)thio]-2-[(3-mercapto-2-methyl-propanoyl)amino]propionic acid Formula: C18H27NO3S2 MolecularWeight: 369.54188

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)NC(CSC(C1=CC=CC=C1)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(CS)C(=O)NC(CSC(C1=CC=CC=C1)C(C)(C)C)C(=O)O

InChI

InChI=1S/C18H27NO3S2/c1-12(10-23)16(20)19-14(17(21)22)11-24-15(18(2,3)4)13-8-6-5-7-9-13/h5-9,12,14-15,23H,10-11H2,1-4H3,(H,19,20)(H,21,22)