methyl 4-[(4-bromophenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: methyl 4-[(4-bromophenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: methyl 4-[(4-bromophenyl)sulfonylamino]-2-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[(4-bromophenyl)sulfonylamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-bromophenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(brosylamino)-2-(tert-butoxycarbonylamino)butyric acid methyl ester Formula: C16H23BrN2O6S MolecularWeight: 451.33262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCNS(=O)(=O)C1=CC=C(C=C1)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCNS(=O)(=O)C1=CC=C(C=C1)Br)C(=O)OC

InChI

InChI=1S/C16H23BrN2O6S/c1-16(2,3)25-15(21)19-13(14(20)24-4)9-10-18-26(22,23)12-7-5-11(17)6-8-12/h5-8,13,18H,9-10H2,1-4H3,(H,19,21)