tert-butyl (2R)-2-[[2-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)ethanoyl-(2-oxidanylidene-2-prop-2-enoxy-ethyl)amino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R)-2-[[2-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)ethanoyl-(2-oxidanylidene-2-prop-2-enoxy-ethyl)amino]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R)-2-[[(2-allyloxy-2-oxo-ethyl)-[2-(4-benzamido-2-oxo-pyrimidin-1-yl)acetyl]amino]methyl]pyrrolidine-1-carboxylate CAS Name: (2R)-2-[[[2-(4-benzamido-2-oxo-1-pyrimidinyl)-1-oxoethyl]-(2-oxo-2-prop-2-enoxyethyl)amino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[[[2-(4-benzamido-2-oxopyrimidin-1-yl)acetyl]-(2-oxo-2-prop-2-enoxyethyl)amino]methyl]pyrrolidine-1-carboxylate Traditional Name: (2R)-2-[[(2-allyloxy-2-keto-ethyl)-[2-(4-benzamido-2-keto-pyrimidin-1-yl)acetyl]amino]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C28H35N5O7 MolecularWeight: 553.6068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1CN(CC(=O)OCC=C)C(=O)CN2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CC(=O)OCC=C)C(=O)CN2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H35N5O7/c1-5-16-39-24(35)19-32(17-21-12-9-14-33(21)27(38)40-28(2,3)4)23(34)18-31-15-13-22(30-26(31)37)29-25(36)20-10-7-6-8-11-20/h5-8,10-11,13,15,21H,1,9,12,14,16-19H2,2-4H3,(H,29,30,36,37)/t21-/m1/s1