7-[[2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalen-2-yl]carbonylamino]heptanoic acid

Systemtic Name: 7-[[2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalen-2-yl]carbonylamino]heptanoic acid Openeye Name: 7-[[2-(tert-butylsulfanylmethyl)tetralin-2-carbonyl]amino]heptanoic acid CAS Name: 7-[[[2-[(tert-butylthio)methyl]-3,4-dihydro-1H-naphthalen-2-yl]-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[[2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalene-2-carbonyl]amino]heptanoic acid Traditional Name: 7-[[2-[(tert-butylthio)methyl]tetralin-2-carbonyl]amino]enanthic acid Formula: C23H35NO3S MolecularWeight: 405.5939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1(CCC2=CC=CC=C2C1)C(=O)NCCCCCCC(=O)O

Isomeric SMILES

CC(C)(C)SCC1(CCC2=CC=CC=C2C1)C(=O)NCCCCCCC(=O)O

InChI

InChI=1S/C23H35NO3S/c1-22(2,3)28-17-23(14-13-18-10-7-8-11-19(18)16-23)21(27)24-15-9-5-4-6-12-20(25)26/h7-8,10-11H,4-6,9,12-17H2,1-3H3,(H,24,27)(H,25,26)