methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)sulfinyloxy-2-[(phenylmethyl)amino]propanoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)sulfinyloxy-2-[(phenylmethyl)amino]propanoate Openeye Name: methyl 2-(benzylamino)-2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)sulfinyloxy-propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-nitrophenyl)sulfinyloxy-2-[(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-(benzylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)sulfinyloxypropanoate Traditional Name: 2-(benzylamino)-2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)sulfinyloxy-propionic acid methyl ester Formula: C22H27N3O8S MolecularWeight: 493.53008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COS(=O)C1=CC=C(C=C1)[N+](=O)[O-])(C(=O)OC)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(COS(=O)C1=CC=C(C=C1)[N+](=O)[O-])(C(=O)OC)NCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O8S/c1-21(2,3)33-20(27)24-22(19(26)31-4,23-14-16-8-6-5-7-9-16)15-32-34(30)18-12-10-17(11-13-18)25(28)29/h5-13,23H,14-15H2,1-4H3,(H,24,27)