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

Systemtic Name: 2-[[2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalen-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(tert-butylsulfanylmethyl)tetralin-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[2-[(tert-butylthio)methyl]-3,4-dihydro-1H-naphthalen-2-yl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalene-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(tert-butylthio)methyl]tetralin-2-carbonyl]amino]-4-methyl-valeric acid Formula: C22H33NO3S MolecularWeight: 391.56732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO3S/c1-15(2)12-18(19(24)25)23-20(26)22(14-27-21(3,4)5)11-10-16-8-6-7-9-17(16)13-22/h6-9,15,18H,10-14H2,1-5H3,(H,23,26)(H,24,25)