6-[(4-methylphenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

Systemtic Name: 6-[(4-methylphenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-6-(p-tolylsulfonylamino)hexanoic acid CAS Name: 6-[(4-methylphenyl)sulfonylamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(4-methylphenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-6-(tosylamino)hexanoic acid Formula: C18H28N2O6S MolecularWeight: 400.48972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H28N2O6S/c1-13-8-10-14(11-9-13)27(24,25)19-12-6-5-7-15(16(21)22)20-17(23)26-18(2,3)4/h8-11,15,19H,5-7,12H2,1-4H3,(H,20,23)(H,21,22)