O4-tert-butyl O1-methyl (E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)but-2-enedioate

Systemtic Name: O4-tert-butyl O1-methyl (E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)but-2-enedioate Openeye Name: O1-tert-butyl O4-methyl (E)-3-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)but-2-enedioate CAS Name: (E)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)-2-butenedioic acid O4-tert-butyl ester O1-methyl ester IUPAC Name: 4-O-tert-butyl 1-O-methyl (E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)but-2-enedioate Traditional Name: (E)-3-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)but-2-enedioic acid O1-tert-butyl ester O4-methyl ester Formula: C22H30N2O8 MolecularWeight: 450.4822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=C(C(=O)OC)NC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)/C(=C(/C(=O)OC)\NC(=O)OCC1=CC=CC=C1)/NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N2O8/c1-21(2,3)31-18(26)16(24-20(28)32-22(4,5)6)15(17(25)29-7)23-19(27)30-13-14-11-9-8-10-12-14/h8-12H,13H2,1-7H3,(H,23,27)(H,24,28)/b16-15+