3-(2-tert-butylsulfanylethanoylamino)-3-phenyl-propanoic acid

Systemtic Name: 3-(2-tert-butylsulfanylethanoylamino)-3-phenyl-propanoic acid Openeye Name: 3-[(2-tert-butylsulfanylacetyl)amino]-3-phenyl-propanoic acid CAS Name: 3-[[2-(tert-butylthio)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[(2-tert-butylsulfanylacetyl)amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-(tert-butylthio)acetyl]amino]-3-phenyl-propionic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-15(2,3)20-10-13(17)16-12(9-14(18)19)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,17)(H,18,19)