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

Systemtic Name: 2-[[2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalen-2-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(tert-butylsulfanylmethyl)tetralin-2-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[2-[(tert-butylthio)methyl]-3,4-dihydro-1H-naphthalen-2-yl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalene-2-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(tert-butylthio)methyl]tetralin-2-carbonyl]amino]-3-methyl-butyric acid Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO3S/c1-14(2)17(18(23)24)22-19(25)21(13-26-20(3,4)5)11-10-15-8-6-7-9-16(15)12-21/h6-9,14,17H,10-13H2,1-5H3,(H,22,25)(H,23,24)