tert-butyl (2R)-2-[[2-(6-benzamidopurin-9-yl)ethanoyl-(2-oxidanylidene-2-prop-2-enoxy-ethyl)amino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R)-2-[[2-(6-benzamidopurin-9-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-(6-benzamidopurin-9-yl)acetyl]amino]methyl]pyrrolidine-1-carboxylate CAS Name: (2R)-2-[[[2-(6-benzamido-9-purinyl)-1-oxoethyl]-(2-oxo-2-prop-2-enoxyethyl)amino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[[[2-(6-benzamidopurin-9-yl)acetyl]-(2-oxo-2-prop-2-enoxyethyl)amino]methyl]pyrrolidine-1-carboxylate Traditional Name: (2R)-2-[[(2-allyloxy-2-keto-ethyl)-[2-(6-benzamidopurin-9-yl)acetyl]amino]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C29H35N7O6 MolecularWeight: 577.6315

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1CN(CC(=O)OCC=C)C(=O)CN2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CC(=O)OCC=C)C(=O)CN2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H35N7O6/c1-5-14-41-23(38)17-34(15-21-12-9-13-36(21)28(40)42-29(2,3)4)22(37)16-35-19-32-24-25(30-18-31-26(24)35)33-27(39)20-10-7-6-8-11-20/h5-8,10-11,18-19,21H,1,9,12-17H2,2-4H3,(H,30,31,33,39)/t21-/m1/s1