tert-butyl 2-[(4-benzamidophenyl)sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Systemtic Name: tert-butyl 2-[(4-benzamidophenyl)sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Openeye Name: tert-butyl 2-[(4-benzamidophenyl)sulfonylamino]-6-(tert-butoxycarbonylamino)hexanoate CAS Name: 2-[(4-benzamidophenyl)sulfonylamino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-benzamidophenyl)sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Traditional Name: 2-[(4-benzamidophenyl)sulfonylamino]-6-(tert-butoxycarbonylamino)hexanoic acid tert-butyl ester Formula: C28H39N3O7S MolecularWeight: 561.69016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCCNC(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CCCCNC(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C28H39N3O7S/c1-27(2,3)37-25(33)23(14-10-11-19-29-26(34)38-28(4,5)6)31-39(35,36)22-17-15-21(16-18-22)30-24(32)20-12-8-7-9-13-20/h7-9,12-13,15-18,23,31H,10-11,14,19H2,1-6H3,(H,29,34)(H,30,32)