3-(2,2-dimethyl-1-phenyl-propyl)sulfanyl-2-(2-methylpropanoylamino)propanoic acid

Systemtic Name: 3-(2,2-dimethyl-1-phenyl-propyl)sulfanyl-2-(2-methylpropanoylamino)propanoic acid Openeye Name: 3-(2,2-dimethyl-1-phenyl-propyl)sulfanyl-2-(2-methylpropanoylamino)propanoic acid CAS Name: 3-[(2,2-dimethyl-1-phenylpropyl)thio]-2-[(2-methyl-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-(2,2-dimethyl-1-phenylpropyl)sulfanyl-2-(2-methylpropanoylamino)propanoic acid Traditional Name: 3-[(2,2-dimethyl-1-phenyl-propyl)thio]-2-(isobutyrylamino)propionic acid Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3S/c1-12(2)16(20)19-14(17(21)22)11-23-15(18(3,4)5)13-9-7-6-8-10-13/h6-10,12,14-15H,11H2,1-5H3,(H,19,20)(H,21,22)