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

Systemtic Name: 2-[[2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalen-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(tert-butylsulfanylmethyl)tetralin-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-[(tert-butylthio)methyl]-3,4-dihydro-1H-naphthalen-2-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalene-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(tert-butylthio)methyl]tetralin-2-carbonyl]amino]-3-phenyl-propionic acid Formula: C25H31NO3S MolecularWeight: 425.58354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1(CCC2=CC=CC=C2C1)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)SCC1(CCC2=CC=CC=C2C1)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H31NO3S/c1-24(2,3)30-17-25(14-13-19-11-7-8-12-20(19)16-25)23(29)26-21(22(27)28)15-18-9-5-4-6-10-18/h4-12,21H,13-17H2,1-3H3,(H,26,29)(H,27,28)