2-[[2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalen-2-yl]carbonylamino]propanoic acid

Systemtic Name: 2-[[2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalen-2-yl]carbonylamino]propanoic acid Openeye Name: 2-[[2-(tert-butylsulfanylmethyl)tetralin-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[2-[(tert-butylthio)methyl]-3,4-dihydro-1H-naphthalen-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalene-2-carbonyl]amino]propanoic acid Traditional Name: 2-[[2-[(tert-butylthio)methyl]tetralin-2-carbonyl]amino]propionic acid Formula: C19H27NO3S MolecularWeight: 349.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1(CCC2=CC=CC=C2C1)CSC(C)(C)C

Isomeric SMILES

CC(C(=O)O)NC(=O)C1(CCC2=CC=CC=C2C1)CSC(C)(C)C

InChI

InChI=1S/C19H27NO3S/c1-13(16(21)22)20-17(23)19(12-24-18(2,3)4)10-9-14-7-5-6-8-15(14)11-19/h5-8,13H,9-12H2,1-4H3,(H,20,23)(H,21,22)